3-chloro-6-methyl-1-benzofuran;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methylthieno[2,3-b]pyridine;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine

C177H174Cl4N26O13S8 — CID 161104457

IUPAC3-chloro-6-methyl-1-benzofuran;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methylthieno[2,3-b]pyridine;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine
SMILESCOc1ccc2[nH]c(C)cc2c1.COc1ccc2cc(C)ccc2c1.COc1ccc2cc(C)sc2c1.COc1ccc2cc(C)sc2n1.COc1ccc2sc(C)cc2c1.COc1ccc2sc(C)cc2n1.COc1cnc2cc(C)sc2c1.Cc1cc2occ(Cl)c2cn1.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2c(Cl)coc2c1.Cc1ccc2c(Cl)coc2n1.Cc1ccc2c(Cl)csc2n1.Cc1ccc2c(N)n[nH]c2c1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(N)nsc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2c(c1)CN=C2N.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1
InChIInChI=1S/C12H12O.C10H11NO.2C10H10OS.C9H7ClO.2C9H10N2.3C9H9NOS.C9H9NO.2C8H6ClNO.C8H6ClNS.2C8H9N3.2C8H8N2O.2C8H8N2S/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-7-5-8-6-9(12-2)3-4-10(8)11-7;1-7-5-8-6-9(11-2)3-4-10(8)12-7;1-7-5-8-3-4-9(11-2)6-10(8)12-7;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-2-3-8-7(4-6)5-11-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-3-8-9(12-6)4-7(11-2)5-10-8;1-6-5-7-8(12-6)3-4-9(10-7)11-2;1-6-5-7-3-4-8(11-2)10-9(7)12-6;1-6-2-3-7-5-10-9(11)8(7)4-6;1-5-2-8-6(3-10-5)7(9)4-11-8;2*1-5-2-3-6-7(9)4-11-8(6)10-5;1-5-2-3-7-6(4-5)8(9)11-10-7;1-5-2-3-6-7(4-5)10-11-8(6)9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9/h3-8H,1-2H3;3-6,11H,1-2H3;2*3-6H,1-2H3;2-5H,1H3;2*2-4H,5H2,1H3,(H2,10,11);3*3-5H,1-2H3;2-4H,5H2,1H3,(H,10,11);3*2-4H,1H3;2*2-4H,1H3,(H3,9,10,11);4*2-4H,1H3,(H2,9,10)
InChIKeyUIWAVDSICOFSNJ-UHFFFAOYSA-N
MW3271.86 g/mol
LogP46.53
Rot. Bonds7

About 3-chloro-6-methyl-1-benzofuran;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methylthieno[2,3-b]pyridine;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine

3-chloro-6-methyl-1-benzofuran;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methylthieno[2,3-b]pyridine;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine (PubChem CID 161104457) has the molecular formula C177H174Cl4N26O13S8 and a molecular weight of 3271.86 g/mol. Its IUPAC name is 3-chloro-6-methyl-1-benzofuran;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methylthieno[2,3-b]pyridine;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine.

Molecular Properties

Compound Name3-chloro-6-methyl-1-benzofuran;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methylthieno[2,3-b]pyridine;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine
PubChem CID161104457
Molecular FormulaC177H174Cl4N26O13S8
Molecular Weight3271.86 g/mol
Exact Mass3267.03
IUPAC Name3-chloro-6-methyl-1-benzofuran;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methylthieno[2,3-b]pyridine;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine
SMILESCOc1ccc2[nH]c(C)cc2c1.COc1ccc2cc(C)ccc2c1.COc1ccc2cc(C)sc2c1.COc1ccc2cc(C)sc2n1.COc1ccc2sc(C)cc2c1.COc1ccc2sc(C)cc2n1.COc1cnc2cc(C)sc2c1.Cc1cc2occ(Cl)c2cn1.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2c(Cl)coc2c1.Cc1ccc2c(Cl)coc2n1.Cc1ccc2c(Cl)csc2n1.Cc1ccc2c(N)n[nH]c2c1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(N)nsc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2c(c1)CN=C2N.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1
InChIInChI=1S/C12H12O.C10H11NO.2C10H10OS.C9H7ClO.2C9H10N2.3C9H9NOS.C9H9NO.2C8H6ClNO.C8H6ClNS.2C8H9N3.2C8H8N2O.2C8H8N2S/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-7-5-8-6-9(12-2)3-4-10(8)11-7;1-7-5-8-6-9(11-2)3-4-10(8)12-7;1-7-5-8-3-4-9(11-2)6-10(8)12-7;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-2-3-8-7(4-6)5-11-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-3-8-9(12-6)4-7(11-2)5-10-8;1-6-5-7-8(12-6)3-4-9(10-7)11-2;1-6-5-7-3-4-8(11-2)10-9(7)12-6;1-6-2-3-7-5-10-9(11)8(7)4-6;1-5-2-8-6(3-10-5)7(9)4-11-8;2*1-5-2-3-6-7(9)4-11-8(6)10-5;1-5-2-3-7-6(4-5)8(9)11-10-7;1-5-2-3-6-7(4-5)10-11-8(6)9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9/h3-8H,1-2H3;3-6,11H,1-2H3;2*3-6H,1-2H3;2-5H,1H3;2*2-4H,5H2,1H3,(H2,10,11);3*3-5H,1-2H3;2-4H,5H2,1H3,(H,10,11);3*2-4H,1H3;2*2-4H,1H3,(H3,9,10,11);4*2-4H,1H3,(H2,9,10)
InChIKeyUIWAVDSICOFSNJ-UHFFFAOYSA-N
XLogP46.53
TPSA594.34 Ų
H-Bond Donors12
H-Bond Acceptors43
Rotatable Bonds7
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003271.86
LogP ≤ 546.53
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1043

Analyze 3-chloro-6-methyl-1-benzofuran;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methylthieno[2,3-b]pyridine;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-methyl-1-benzothiophene;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;5-methyl-2H-benzotriazole;2-methylfuro[3,2-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole
CID 158163941
3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-6-methylthieno[2,3-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine
CID 159771895
3-chloro-6-methyl-2H-indazole;5-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;2-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine
CID 161457624

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-1-benzofuran;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methylthieno[2,3-b]pyridine;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine?
The IUPAC name of 3-chloro-6-methyl-1-benzofuran;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methylthieno[2,3-b]pyridine;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine (CID 161104457) is 3-chloro-6-methyl-1-benzofuran;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methylthieno[2,3-b]pyridine;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine.
What is the SMILES notation for 3-chloro-6-methyl-1-benzofuran;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methylthieno[2,3-b]pyridine;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine?
The canonical SMILES for 3-chloro-6-methyl-1-benzofuran;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methylthieno[2,3-b]pyridine;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine is COc1ccc2[nH]c(C)cc2c1.COc1ccc2cc(C)ccc2c1.COc1ccc2cc(C)sc2c1.COc1ccc2cc(C)sc2n1.COc1ccc2sc(C)cc2c1.COc1ccc2sc(C)cc2n1.COc1cnc2cc(C)sc2c1.Cc1cc2occ(Cl)c2cn1.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2c(Cl)coc2c1.Cc1ccc2c(Cl)coc2n1.Cc1ccc2c(Cl)csc2n1.Cc1ccc2c(N)n[nH]c2c1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(N)nsc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2c(c1)CN=C2N.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1.
What is the InChIKey of 3-chloro-6-methyl-1-benzofuran;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methylthieno[2,3-b]pyridine;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine?
The InChIKey is UIWAVDSICOFSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O.C10H11NO.2C10H10OS.C9H7ClO.2C9H10N2.3C9H9NOS.C9H9NO.2C8H6ClNO.C8H6ClNS.2C8H9N3.2C8H8N2O.2C8H8N2S/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-7-5-8-6-9(12-2)3-4-10(8)11-7;1-7-5-8-6-9(11-2)3-4-10(8)12-7;1-7-5-8-3-4-9(11-2)6-10(8)12-7;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-2-3-8-7(4-6)5-11-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-3-8-9(12-6)4-7(11-2)5-10-8;1-6-5-7-8(12-6)3-4-9(10-7)11-2;1-6-5-7-3-4-8(11-2)10-9(7)12-6;1-6-2-3-7-5-10-9(11)8(7)4-6;1-5-2-8-6(3-10-5)7(9)4-11-8;2*1-5-2-3-6-7(9)4-11-8(6)10-5;1-5-2-3-7-6(4-5)8(9)11-10-7;1-5-2-3-6-7(4-5)10-11-8(6)9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9/h3-8H,1-2H3;3-6,11H,1-2H3;2*3-6H,1-2H3;2-5H,1H3;2*2-4H,5H2,1H3,(H2,10,11);3*3-5H,1-2H3;2-4H,5H2,1H3,(H,10,11);3*2-4H,1H3;2*2-4H,1H3,(H3,9,10,11);4*2-4H,1H3,(H2,9,10).
What are the key properties of 3-chloro-6-methyl-1-benzofuran;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methylthieno[2,3-b]pyridine;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine?
3-chloro-6-methyl-1-benzofuran;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methylthieno[2,3-b]pyridine;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine has a molecular weight of 3271.86 g/mol, XLogP of 46.53, 7 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-1-benzofuran;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methylthieno[2,3-b]pyridine;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine is sourced from PubChem (CID 161104457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).