5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylic acid

C12H7Cl2NO3 — CID 133092701

IUPAC5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2c(Cl)cccc2Cl)c(=O)[nH]1
InChIInChI=1S/C12H7Cl2NO3/c13-7-2-1-3-8(14)10(7)6-4-5-9(12(17)18)15-11(6)16/h1-5H,(H,15,16)(H,17,18)
InChIKeyPLBVVAXGSNWQCH-UHFFFAOYSA-N
MW284.10 g/mol
LogP3.05
Rot. Bonds2

About 5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylic acid

5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 133092701) has the molecular formula C12H7Cl2NO3 and a molecular weight of 284.10 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID133092701
Molecular FormulaC12H7Cl2NO3
Molecular Weight284.10 g/mol
Exact Mass282.98
IUPAC Name5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2c(Cl)cccc2Cl)c(=O)[nH]1
InChIInChI=1S/C12H7Cl2NO3/c13-7-2-1-3-8(14)10(7)6-4-5-9(12(17)18)15-11(6)16/h1-5H,(H,15,16)(H,17,18)
InChIKeyPLBVVAXGSNWQCH-UHFFFAOYSA-N
XLogP3.05
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(7-chloro-1H-indol-2-yl)-1H-pyrrole-2-carboxylic acid
CID 115110110
4-(2,6-dichlorophenyl)-3-fluorobenzoic acid
CID 119008734
6-amino-3-(2,6-dichlorophenyl)pyridine-2-carboxylic acid
CID 133087067
3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylic acid
CID 70546030
5-benzyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 69044636
5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid
CID 115110113
3-(2-chloro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 115111364
CID 11251659
CID 11251659
methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
CID 133092788
6-chloro-5-methyl-1-oxo-2H-isoquinoline-3-carboxylic acid
CID 114517705
3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 83395870
methyl 6-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-2-carboxylate
CID 133091429

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylic acid (CID 133092701) is 5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2c(Cl)cccc2Cl)c(=O)[nH]1.
What is the InChIKey of 5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is PLBVVAXGSNWQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO3/c13-7-2-1-3-8(14)10(7)6-4-5-9(12(17)18)15-11(6)16/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylic acid?
5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 284.10 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 133092701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).