2-(3-chloro-4-oxo-1H-pyridin-2-yl)acetic acid

C7H6ClNO3 — CID 130960878

IUPAC2-(3-chloro-4-oxo-1H-pyridin-2-yl)acetic acid
SMILESO=C(O)Cc1[nH]ccc(=O)c1Cl
InChIInChI=1S/C7H6ClNO3/c8-7-4(3-6(11)12)9-2-1-5(7)10/h1-2H,3H2,(H,9,10)(H,11,12)
InChIKeyBDHUBCIKUFAECR-UHFFFAOYSA-N
MW187.58 g/mol
LogP0.66
Rot. Bonds2

About 2-(3-chloro-4-oxo-1H-pyridin-2-yl)acetic acid

2-(3-chloro-4-oxo-1H-pyridin-2-yl)acetic acid (PubChem CID 130960878) has the molecular formula C7H6ClNO3 and a molecular weight of 187.58 g/mol. Its IUPAC name is 2-(3-chloro-4-oxo-1H-pyridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-4-oxo-1H-pyridin-2-yl)acetic acid
PubChem CID130960878
Molecular FormulaC7H6ClNO3
Molecular Weight187.58 g/mol
Exact Mass187.00
IUPAC Name2-(3-chloro-4-oxo-1H-pyridin-2-yl)acetic acid
SMILESO=C(O)Cc1[nH]ccc(=O)c1Cl
InChIInChI=1S/C7H6ClNO3/c8-7-4(3-6(11)12)9-2-1-5(7)10/h1-2H,3H2,(H,9,10)(H,11,12)
InChIKeyBDHUBCIKUFAECR-UHFFFAOYSA-N
XLogP0.66
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.58
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-benzoyl-1H-pyrrol-2-yl)acetic acid
CID 86174561
2-bromo-3-chloro-1H-pyridin-4-one
CID 57336548
4-(4-chloro-1H-indol-5-yl)butanoic acid
CID 117348042
2-(chloromethyl)-3-methyl-1H-pyridin-4-one
CID 130836032
2-(2,3-dichloro-4-methylphenyl)acetic acid
CID 119014032
2-[6-oxo-3-(3,4,5-trichlorophenyl)-1H-pyridin-2-yl]acetic acid
CID 133092378
2-(3,4-diamino-2-chlorophenyl)acetic acid
CID 171016624
2-(2-bromo-3,4-dichlorophenyl)acetic acid
CID 54442363
2-(3,4-dichloro-1H-indol-2-yl)acetic acid
CID 67922081
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
CID 130072773
2-(4-chloro-3-methyl-1H-indol-5-yl)acetic acid
CID 174764483
2-oxo-3-(2,3,4,5,6-pentachlorophenyl)-1H-pyridine-4-carboxylic acid
CID 133092135

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-oxo-1H-pyridin-2-yl)acetic acid?
The IUPAC name of 2-(3-chloro-4-oxo-1H-pyridin-2-yl)acetic acid (CID 130960878) is 2-(3-chloro-4-oxo-1H-pyridin-2-yl)acetic acid.
What is the SMILES notation for 2-(3-chloro-4-oxo-1H-pyridin-2-yl)acetic acid?
The canonical SMILES for 2-(3-chloro-4-oxo-1H-pyridin-2-yl)acetic acid is O=C(O)Cc1[nH]ccc(=O)c1Cl.
What is the InChIKey of 2-(3-chloro-4-oxo-1H-pyridin-2-yl)acetic acid?
The InChIKey is BDHUBCIKUFAECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3/c8-7-4(3-6(11)12)9-2-1-5(7)10/h1-2H,3H2,(H,9,10)(H,11,12).
What are the key properties of 2-(3-chloro-4-oxo-1H-pyridin-2-yl)acetic acid?
2-(3-chloro-4-oxo-1H-pyridin-2-yl)acetic acid has a molecular weight of 187.58 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-oxo-1H-pyridin-2-yl)acetic acid is sourced from PubChem (CID 130960878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).