(6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone

C17H12BrNO — CID 115781346

IUPAC(6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H12BrNO/c1-11-6-7-19-10-16(11)17(20)14-3-2-13-9-15(18)5-4-12(13)8-14/h2-10H,1H3
InChIKeyLTHBSHDTSULLDM-UHFFFAOYSA-N
MW326.19 g/mol
LogP4.54
Rot. Bonds2

About (6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone

(6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone (PubChem CID 115781346) has the molecular formula C17H12BrNO and a molecular weight of 326.19 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone
PubChem CID115781346
Molecular FormulaC17H12BrNO
Molecular Weight326.19 g/mol
Exact Mass325.01
IUPAC Name(6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H12BrNO/c1-11-6-7-19-10-16(11)17(20)14-3-2-13-9-15(18)5-4-12(13)8-14/h2-10H,1H3
InChIKeyLTHBSHDTSULLDM-UHFFFAOYSA-N
XLogP4.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone
CID 114877527
(6-bromonaphthalen-2-yl)-(4-bromothiophen-3-yl)methanone
CID 115784083
(5-bromo-2-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963954
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-3-pyridinyl)methanone
CID 107288338
(4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone
CID 114877477
[2-(aminomethyl)-4-pyridinyl]-(4-methyl-3-pyridinyl)methanone
CID 116601966
(3-ethylphenyl)-(4-methyl-3-pyridinyl)methanone
CID 114877566
(5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone
CID 75406822
1-(7-bromonaphthalen-2-yl)ethanone
CID 68758171
(2-bromo-4-chlorophenyl)-(4-methyl-3-pyridinyl)methanone
CID 107996490
(2-amino-5-bromophenyl)-(2-methylquinolin-6-yl)methanone
CID 82697228
(4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone
CID 114329651

Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone?
The IUPAC name of (6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone (CID 115781346) is (6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone?
The canonical SMILES for (6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone is Cc1ccncc1C(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of (6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone?
The InChIKey is LTHBSHDTSULLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO/c1-11-6-7-19-10-16(11)17(20)14-3-2-13-9-15(18)5-4-12(13)8-14/h2-10H,1H3.
What are the key properties of (6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone?
(6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone has a molecular weight of 326.19 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 115781346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).