6-bromo-2-isocyano-3-methylnaphthalene;6-bromo-3-methoxy-2-methylnaphthalene;6-bromo-3-methylnaphthalene-2-carboxamide;7-bromo-3-methylnaphthalene-2-carboxamide;6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;6-chloro-3-methoxy-2-methylnaphthalene;6-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboxamide;6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;6-fluoro-3-methoxy-2-methylnaphthalene;6-fluoro-3-methylnaphthalene-2-carboxamide;7-fluoro-3-methylnaphthalene-2-carboxamide;6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine

C258H227Br8Cl7F7N13O15 — CID 159691036

IUPAC6-bromo-2-isocyano-3-methylnaphthalene;6-bromo-3-methoxy-2-methylnaphthalene;6-bromo-3-methylnaphthalene-2-carboxamide;7-bromo-3-methylnaphthalene-2-carboxamide;6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;6-chloro-3-methoxy-2-methylnaphthalene;6-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboxamide;6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;6-fluoro-3-methoxy-2-methylnaphthalene;6-fluoro-3-methylnaphthalene-2-carboxamide;7-fluoro-3-methylnaphthalene-2-carboxamide;6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine
SMILESCOc1cc2cc(Br)ccc2cc1C.COc1cc2cc(Cl)ccc2cc1C.COc1cc2cc(F)ccc2cc1C.Cc1cc2cc(Br)ccc2cc1C(N)=O.Cc1cc2cc(Br)ccc2cc1CN.Cc1cc2cc(Br)ccc2cc1O.Cc1cc2cc(Cl)ccc2cc1C(N)=O.Cc1cc2cc(Cl)ccc2cc1CN.Cc1cc2cc(Cl)ccc2cc1O.Cc1cc2cc(F)ccc2cc1C(N)=O.Cc1cc2cc(F)ccc2cc1CN.Cc1cc2cc(F)ccc2cc1O.Cc1cc2ccc(Br)cc2cc1C(N)=O.Cc1cc2ccc(Br)cc2cc1CN.Cc1cc2ccc(Br)cc2cc1O.Cc1cc2ccc(Cl)cc2cc1C(N)=O.Cc1cc2ccc(Cl)cc2cc1CN.Cc1cc2ccc(Cl)cc2cc1O.Cc1cc2ccc(F)cc2cc1C(N)=O.Cc1cc2ccc(F)cc2cc1CN.Cc1cc2ccc(F)cc2cc1O.[C-]#[N+]c1cc2ccc(Br)cc2cc1C
InChIInChI=1S/2C12H10BrNO.C12H8BrN.2C12H12BrN.C12H11BrO.2C12H10ClNO.2C12H12ClN.C12H11ClO.2C12H10FNO.2C12H12FN.C12H11FO.2C11H9BrO.2C11H9ClO.2C11H9FO/c1-7-4-9-5-10(13)3-2-8(9)6-11(7)12(14)15;1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15;1-8-5-10-6-11(13)4-3-9(10)7-12(8)14-2;1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;1-8-5-9-3-4-11(13)6-10(9)7-12(8)14-2;1-7-4-9-5-10(13)3-2-8(9)6-11(7)12(14)15;1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15;1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;1-8-5-9-3-4-11(13)6-10(9)7-12(8)14-2;1-7-4-9-5-10(13)3-2-8(9)6-11(7)12(14)15;1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15;1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;1-8-5-9-3-4-11(13)6-10(9)7-12(8)14-2;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13/h2*2-6H,1H3,(H2,14,15);3-7H,1H3;2*2-6H,7,14H2,1H3;3-7H,1-2H3;2*2-6H,1H3,(H2,14,15);2*2-6H,7,14H2,1H3;3-7H,1-2H3;2*2-6H,1H3,(H2,14,15);2*2-6H,7,14H2,1H3;3-7H,1-2H3;6*2-6,13H,1H3
InChIKeyMWKKUNZRORJRIT-UHFFFAOYSA-N
MW4770.12 g/mol
LogP71.06
Rot. Bonds15

About 6-bromo-2-isocyano-3-methylnaphthalene;6-bromo-3-methoxy-2-methylnaphthalene;6-bromo-3-methylnaphthalene-2-carboxamide;7-bromo-3-methylnaphthalene-2-carboxamide;6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;6-chloro-3-methoxy-2-methylnaphthalene;6-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboxamide;6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;6-fluoro-3-methoxy-2-methylnaphthalene;6-fluoro-3-methylnaphthalene-2-carboxamide;7-fluoro-3-methylnaphthalene-2-carboxamide;6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine

6-bromo-2-isocyano-3-methylnaphthalene;6-bromo-3-methoxy-2-methylnaphthalene;6-bromo-3-methylnaphthalene-2-carboxamide;7-bromo-3-methylnaphthalene-2-carboxamide;6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;6-chloro-3-methoxy-2-methylnaphthalene;6-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboxamide;6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;6-fluoro-3-methoxy-2-methylnaphthalene;6-fluoro-3-methylnaphthalene-2-carboxamide;7-fluoro-3-methylnaphthalene-2-carboxamide;6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine (PubChem CID 159691036) has the molecular formula C258H227Br8Cl7F7N13O15 and a molecular weight of 4770.12 g/mol. Its IUPAC name is 6-bromo-2-isocyano-3-methylnaphthalene;6-bromo-3-methoxy-2-methylnaphthalene;6-bromo-3-methylnaphthalene-2-carboxamide;7-bromo-3-methylnaphthalene-2-carboxamide;6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;6-chloro-3-methoxy-2-methylnaphthalene;6-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboxamide;6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;6-fluoro-3-methoxy-2-methylnaphthalene;6-fluoro-3-methylnaphthalene-2-carboxamide;7-fluoro-3-methylnaphthalene-2-carboxamide;6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name6-bromo-2-isocyano-3-methylnaphthalene;6-bromo-3-methoxy-2-methylnaphthalene;6-bromo-3-methylnaphthalene-2-carboxamide;7-bromo-3-methylnaphthalene-2-carboxamide;6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;6-chloro-3-methoxy-2-methylnaphthalene;6-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboxamide;6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;6-fluoro-3-methoxy-2-methylnaphthalene;6-fluoro-3-methylnaphthalene-2-carboxamide;7-fluoro-3-methylnaphthalene-2-carboxamide;6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine
PubChem CID159691036
Molecular FormulaC258H227Br8Cl7F7N13O15
Molecular Weight4770.12 g/mol
Exact Mass4755.86
IUPAC Name6-bromo-2-isocyano-3-methylnaphthalene;6-bromo-3-methoxy-2-methylnaphthalene;6-bromo-3-methylnaphthalene-2-carboxamide;7-bromo-3-methylnaphthalene-2-carboxamide;6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;6-chloro-3-methoxy-2-methylnaphthalene;6-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboxamide;6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;6-fluoro-3-methoxy-2-methylnaphthalene;6-fluoro-3-methylnaphthalene-2-carboxamide;7-fluoro-3-methylnaphthalene-2-carboxamide;6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine
SMILESCOc1cc2cc(Br)ccc2cc1C.COc1cc2cc(Cl)ccc2cc1C.COc1cc2cc(F)ccc2cc1C.Cc1cc2cc(Br)ccc2cc1C(N)=O.Cc1cc2cc(Br)ccc2cc1CN.Cc1cc2cc(Br)ccc2cc1O.Cc1cc2cc(Cl)ccc2cc1C(N)=O.Cc1cc2cc(Cl)ccc2cc1CN.Cc1cc2cc(Cl)ccc2cc1O.Cc1cc2cc(F)ccc2cc1C(N)=O.Cc1cc2cc(F)ccc2cc1CN.Cc1cc2cc(F)ccc2cc1O.Cc1cc2ccc(Br)cc2cc1C(N)=O.Cc1cc2ccc(Br)cc2cc1CN.Cc1cc2ccc(Br)cc2cc1O.Cc1cc2ccc(Cl)cc2cc1C(N)=O.Cc1cc2ccc(Cl)cc2cc1CN.Cc1cc2ccc(Cl)cc2cc1O.Cc1cc2ccc(F)cc2cc1C(N)=O.Cc1cc2ccc(F)cc2cc1CN.Cc1cc2ccc(F)cc2cc1O.[C-]#[N+]c1cc2ccc(Br)cc2cc1C
InChIInChI=1S/2C12H10BrNO.C12H8BrN.2C12H12BrN.C12H11BrO.2C12H10ClNO.2C12H12ClN.C12H11ClO.2C12H10FNO.2C12H12FN.C12H11FO.2C11H9BrO.2C11H9ClO.2C11H9FO/c1-7-4-9-5-10(13)3-2-8(9)6-11(7)12(14)15;1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15;1-8-5-10-6-11(13)4-3-9(10)7-12(8)14-2;1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;1-8-5-9-3-4-11(13)6-10(9)7-12(8)14-2;1-7-4-9-5-10(13)3-2-8(9)6-11(7)12(14)15;1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15;1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;1-8-5-9-3-4-11(13)6-10(9)7-12(8)14-2;1-7-4-9-5-10(13)3-2-8(9)6-11(7)12(14)15;1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15;1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;1-8-5-9-3-4-11(13)6-10(9)7-12(8)14-2;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13/h2*2-6H,1H3,(H2,14,15);3-7H,1H3;2*2-6H,7,14H2,1H3;3-7H,1-2H3;2*2-6H,1H3,(H2,14,15);2*2-6H,7,14H2,1H3;3-7H,1-2H3;2*2-6H,1H3,(H2,14,15);2*2-6H,7,14H2,1H3;3-7H,1-2H3;6*2-6,13H,1H3
InChIKeyMWKKUNZRORJRIT-UHFFFAOYSA-N
XLogP71.06
TPSA568.09 Ų
H-Bond Donors18
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms308
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004770.12
LogP ≤ 571.06
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1021

Analyze 6-bromo-2-isocyano-3-methylnaphthalene;6-bromo-3-methoxy-2-methylnaphthalene;6-bromo-3-methylnaphthalene-2-carboxamide;7-bromo-3-methylnaphthalene-2-carboxamide;6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;6-chloro-3-methoxy-2-methylnaphthalene;6-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboxamide;6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;6-fluoro-3-methoxy-2-methylnaphthalene;6-fluoro-3-methylnaphthalene-2-carboxamide;7-fluoro-3-methylnaphthalene-2-carboxamide;6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-isocyano-3-methylnaphthalene;6-bromo-3-methoxy-2-methylnaphthalene;6-bromo-3-methylnaphthalene-2-carboxamide;7-bromo-3-methylnaphthalene-2-carboxamide;6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;6-chloro-3-methoxy-2-methylnaphthalene;6-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboxamide;6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;6-fluoro-3-methoxy-2-methylnaphthalene;6-fluoro-3-methylnaphthalene-2-carboxamide;7-fluoro-3-methylnaphthalene-2-carboxamide;6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine?
The IUPAC name of 6-bromo-2-isocyano-3-methylnaphthalene;6-bromo-3-methoxy-2-methylnaphthalene;6-bromo-3-methylnaphthalene-2-carboxamide;7-bromo-3-methylnaphthalene-2-carboxamide;6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;6-chloro-3-methoxy-2-methylnaphthalene;6-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboxamide;6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;6-fluoro-3-methoxy-2-methylnaphthalene;6-fluoro-3-methylnaphthalene-2-carboxamide;7-fluoro-3-methylnaphthalene-2-carboxamide;6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine (CID 159691036) is 6-bromo-2-isocyano-3-methylnaphthalene;6-bromo-3-methoxy-2-methylnaphthalene;6-bromo-3-methylnaphthalene-2-carboxamide;7-bromo-3-methylnaphthalene-2-carboxamide;6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;6-chloro-3-methoxy-2-methylnaphthalene;6-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboxamide;6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;6-fluoro-3-methoxy-2-methylnaphthalene;6-fluoro-3-methylnaphthalene-2-carboxamide;7-fluoro-3-methylnaphthalene-2-carboxamide;6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine.
What is the SMILES notation for 6-bromo-2-isocyano-3-methylnaphthalene;6-bromo-3-methoxy-2-methylnaphthalene;6-bromo-3-methylnaphthalene-2-carboxamide;7-bromo-3-methylnaphthalene-2-carboxamide;6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;6-chloro-3-methoxy-2-methylnaphthalene;6-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboxamide;6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;6-fluoro-3-methoxy-2-methylnaphthalene;6-fluoro-3-methylnaphthalene-2-carboxamide;7-fluoro-3-methylnaphthalene-2-carboxamide;6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine?
The canonical SMILES for 6-bromo-2-isocyano-3-methylnaphthalene;6-bromo-3-methoxy-2-methylnaphthalene;6-bromo-3-methylnaphthalene-2-carboxamide;7-bromo-3-methylnaphthalene-2-carboxamide;6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;6-chloro-3-methoxy-2-methylnaphthalene;6-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboxamide;6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;6-fluoro-3-methoxy-2-methylnaphthalene;6-fluoro-3-methylnaphthalene-2-carboxamide;7-fluoro-3-methylnaphthalene-2-carboxamide;6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine is COc1cc2cc(Br)ccc2cc1C.COc1cc2cc(Cl)ccc2cc1C.COc1cc2cc(F)ccc2cc1C.Cc1cc2cc(Br)ccc2cc1C(N)=O.Cc1cc2cc(Br)ccc2cc1CN.Cc1cc2cc(Br)ccc2cc1O.Cc1cc2cc(Cl)ccc2cc1C(N)=O.Cc1cc2cc(Cl)ccc2cc1CN.Cc1cc2cc(Cl)ccc2cc1O.Cc1cc2cc(F)ccc2cc1C(N)=O.Cc1cc2cc(F)ccc2cc1CN.Cc1cc2cc(F)ccc2cc1O.Cc1cc2ccc(Br)cc2cc1C(N)=O.Cc1cc2ccc(Br)cc2cc1CN.Cc1cc2ccc(Br)cc2cc1O.Cc1cc2ccc(Cl)cc2cc1C(N)=O.Cc1cc2ccc(Cl)cc2cc1CN.Cc1cc2ccc(Cl)cc2cc1O.Cc1cc2ccc(F)cc2cc1C(N)=O.Cc1cc2ccc(F)cc2cc1CN.Cc1cc2ccc(F)cc2cc1O.[C-]#[N+]c1cc2ccc(Br)cc2cc1C.
What is the InChIKey of 6-bromo-2-isocyano-3-methylnaphthalene;6-bromo-3-methoxy-2-methylnaphthalene;6-bromo-3-methylnaphthalene-2-carboxamide;7-bromo-3-methylnaphthalene-2-carboxamide;6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;6-chloro-3-methoxy-2-methylnaphthalene;6-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboxamide;6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;6-fluoro-3-methoxy-2-methylnaphthalene;6-fluoro-3-methylnaphthalene-2-carboxamide;7-fluoro-3-methylnaphthalene-2-carboxamide;6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine?
The InChIKey is MWKKUNZRORJRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10BrNO.C12H8BrN.2C12H12BrN.C12H11BrO.2C12H10ClNO.2C12H12ClN.C12H11ClO.2C12H10FNO.2C12H12FN.C12H11FO.2C11H9BrO.2C11H9ClO.2C11H9FO/c1-7-4-9-5-10(13)3-2-8(9)6-11(7)12(14)15;1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15;1-8-5-10-6-11(13)4-3-9(10)7-12(8)14-2;1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;1-8-5-9-3-4-11(13)6-10(9)7-12(8)14-2;1-7-4-9-5-10(13)3-2-8(9)6-11(7)12(14)15;1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15;1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;1-8-5-9-3-4-11(13)6-10(9)7-12(8)14-2;1-7-4-9-5-10(13)3-2-8(9)6-11(7)12(14)15;1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15;1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;1-8-5-9-3-4-11(13)6-10(9)7-12(8)14-2;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13/h2*2-6H,1H3,(H2,14,15);3-7H,1H3;2*2-6H,7,14H2,1H3;3-7H,1-2H3;2*2-6H,1H3,(H2,14,15);2*2-6H,7,14H2,1H3;3-7H,1-2H3;2*2-6H,1H3,(H2,14,15);2*2-6H,7,14H2,1H3;3-7H,1-2H3;6*2-6,13H,1H3.
What are the key properties of 6-bromo-2-isocyano-3-methylnaphthalene;6-bromo-3-methoxy-2-methylnaphthalene;6-bromo-3-methylnaphthalene-2-carboxamide;7-bromo-3-methylnaphthalene-2-carboxamide;6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;6-chloro-3-methoxy-2-methylnaphthalene;6-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboxamide;6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;6-fluoro-3-methoxy-2-methylnaphthalene;6-fluoro-3-methylnaphthalene-2-carboxamide;7-fluoro-3-methylnaphthalene-2-carboxamide;6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine?
6-bromo-2-isocyano-3-methylnaphthalene;6-bromo-3-methoxy-2-methylnaphthalene;6-bromo-3-methylnaphthalene-2-carboxamide;7-bromo-3-methylnaphthalene-2-carboxamide;6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;6-chloro-3-methoxy-2-methylnaphthalene;6-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboxamide;6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;6-fluoro-3-methoxy-2-methylnaphthalene;6-fluoro-3-methylnaphthalene-2-carboxamide;7-fluoro-3-methylnaphthalene-2-carboxamide;6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine has a molecular weight of 4770.12 g/mol, XLogP of 71.06, 15 rotatable bonds, 18 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-isocyano-3-methylnaphthalene;6-bromo-3-methoxy-2-methylnaphthalene;6-bromo-3-methylnaphthalene-2-carboxamide;7-bromo-3-methylnaphthalene-2-carboxamide;6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;6-chloro-3-methoxy-2-methylnaphthalene;6-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboxamide;6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;6-fluoro-3-methoxy-2-methylnaphthalene;6-fluoro-3-methylnaphthalene-2-carboxamide;7-fluoro-3-methylnaphthalene-2-carboxamide;6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine is sourced from PubChem (CID 159691036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).