6-naphthalen-2-ylpyridine-2-carboxylic acid

C32H22N2O4 — CID 158131447

IUPAC6-naphthalen-2-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2ccc3ccccc3c2)n1.O=C(O)c1cccc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/2C16H11NO2/c2*18-16(19)15-7-3-6-14(17-15)13-9-8-11-4-1-2-5-12(11)10-13/h2*1-10H,(H,18,19)
InChIKeyFSVBEGKBQLLERB-UHFFFAOYSA-N
MW498.54 g/mol
LogP7.20
Rot. Bonds4

About 6-naphthalen-2-ylpyridine-2-carboxylic acid

6-naphthalen-2-ylpyridine-2-carboxylic acid (PubChem CID 158131447) has the molecular formula C32H22N2O4 and a molecular weight of 498.54 g/mol. Its IUPAC name is 6-naphthalen-2-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-naphthalen-2-ylpyridine-2-carboxylic acid
PubChem CID158131447
Molecular FormulaC32H22N2O4
Molecular Weight498.54 g/mol
Exact Mass498.16
IUPAC Name6-naphthalen-2-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2ccc3ccccc3c2)n1.O=C(O)c1cccc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/2C16H11NO2/c2*18-16(19)15-7-3-6-14(17-15)13-9-8-11-4-1-2-5-12(11)10-13/h2*1-10H,(H,18,19)
InChIKeyFSVBEGKBQLLERB-UHFFFAOYSA-N
XLogP7.20
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.54
LogP ≤ 57.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-fluorophenyl)pyridine-2-carboxylic acid
CID 24730139
6-(3-bromophenyl)pyridine-2-carboxylic acid
CID 82378732
6-(3,5-dichlorophenyl)pyridine-2-carboxylic acid
CID 24730153
6-(3-ethyl-4-hydroxyphenyl)pyridine-2-carboxylic acid
CID 174420706
6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid
CID 11461037
6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid
CID 141058986
6-(3-ethyl-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
CID 174420705
2,2-difluoro-N-(6-naphthalen-2-yl-2-pyridinyl)acetamide
CID 154807933
3-(6-carbamoyl-2-pyridinyl)benzoic acid
CID 102340613
CID 91986542
CID 91986542
2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 59010381
2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 4195615

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-ylpyridine-2-carboxylic acid?
The IUPAC name of 6-naphthalen-2-ylpyridine-2-carboxylic acid (CID 158131447) is 6-naphthalen-2-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-naphthalen-2-ylpyridine-2-carboxylic acid?
The canonical SMILES for 6-naphthalen-2-ylpyridine-2-carboxylic acid is O=C(O)c1cccc(-c2ccc3ccccc3c2)n1.O=C(O)c1cccc(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 6-naphthalen-2-ylpyridine-2-carboxylic acid?
The InChIKey is FSVBEGKBQLLERB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H11NO2/c2*18-16(19)15-7-3-6-14(17-15)13-9-8-11-4-1-2-5-12(11)10-13/h2*1-10H,(H,18,19).
What are the key properties of 6-naphthalen-2-ylpyridine-2-carboxylic acid?
6-naphthalen-2-ylpyridine-2-carboxylic acid has a molecular weight of 498.54 g/mol, XLogP of 7.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 158131447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).