1-(2-chloroprop-2-enyl)-2-oxopyridine-4-carboxylic acid

C9H8ClNO3 — CID 82903725

IUPAC1-(2-chloroprop-2-enyl)-2-oxopyridine-4-carboxylic acid
SMILESC=C(Cl)Cn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C9H8ClNO3/c1-6(10)5-11-3-2-7(9(13)14)4-8(11)12/h2-4H,1,5H2,(H,13,14)
InChIKeyOKWRPSCESTXFFT-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.30
Rot. Bonds3

About 1-(2-chloroprop-2-enyl)-2-oxopyridine-4-carboxylic acid

1-(2-chloroprop-2-enyl)-2-oxopyridine-4-carboxylic acid (PubChem CID 82903725) has the molecular formula C9H8ClNO3 and a molecular weight of 213.62 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-2-oxopyridine-4-carboxylic acid
PubChem CID82903725
Molecular FormulaC9H8ClNO3
Molecular Weight213.62 g/mol
Exact Mass213.02
IUPAC Name1-(2-chloroprop-2-enyl)-2-oxopyridine-4-carboxylic acid
SMILESC=C(Cl)Cn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C9H8ClNO3/c1-6(10)5-11-3-2-7(9(13)14)4-8(11)12/h2-4H,1,5H2,(H,13,14)
InChIKeyOKWRPSCESTXFFT-UHFFFAOYSA-N
XLogP1.30
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-carboxyprop-2-enyl)-2-oxopyridine-4-carboxylic acid
CID 46868566
2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid
CID 82902984
2-oxo-1-prop-2-ynylpyridine-4-carboxylic acid
CID 82902412
1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502819
1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid
CID 44600577
1-(5-hydroxypentyl)-2-oxopyridine-4-carboxylic acid
CID 82901975
1-[2-(cyanomethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
CID 82898006
1-[2-(2-methylpropylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
CID 82901827
1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
CID 82903265
1-hexyl-2-oxopyridine-4-carboxylic acid
CID 82901807
1-[(4-chloro-2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 114850273
1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82918341

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-(2-chloroprop-2-enyl)-2-oxopyridine-4-carboxylic acid (CID 82903725) is 1-(2-chloroprop-2-enyl)-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-2-oxopyridine-4-carboxylic acid is C=C(Cl)Cn1ccc(C(=O)O)cc1=O.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-2-oxopyridine-4-carboxylic acid?
The InChIKey is OKWRPSCESTXFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3/c1-6(10)5-11-3-2-7(9(13)14)4-8(11)12/h2-4H,1,5H2,(H,13,14).
What are the key properties of 1-(2-chloroprop-2-enyl)-2-oxopyridine-4-carboxylic acid?
1-(2-chloroprop-2-enyl)-2-oxopyridine-4-carboxylic acid has a molecular weight of 213.62 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 82903725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).