6-chloro-4-(2-methylpropanoyl)pyridine-3-carboxylic acid

C10H10ClNO3 — CID 156538639

IUPAC6-chloro-4-(2-methylpropanoyl)pyridine-3-carboxylic acid
SMILESCC(C)C(=O)c1cc(Cl)ncc1C(=O)O
InChIInChI=1S/C10H10ClNO3/c1-5(2)9(13)6-3-8(11)12-4-7(6)10(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyMBRPJOQZUKLRPP-UHFFFAOYSA-N
MW227.65 g/mol
LogP2.27
Rot. Bonds3

About 6-chloro-4-(2-methylpropanoyl)pyridine-3-carboxylic acid

6-chloro-4-(2-methylpropanoyl)pyridine-3-carboxylic acid (PubChem CID 156538639) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 6-chloro-4-(2-methylpropanoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-(2-methylpropanoyl)pyridine-3-carboxylic acid
PubChem CID156538639
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name6-chloro-4-(2-methylpropanoyl)pyridine-3-carboxylic acid
SMILESCC(C)C(=O)c1cc(Cl)ncc1C(=O)O
InChIInChI=1S/C10H10ClNO3/c1-5(2)9(13)6-3-8(11)12-4-7(6)10(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyMBRPJOQZUKLRPP-UHFFFAOYSA-N
XLogP2.27
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one
CID 118065331
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477
5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide
CID 130727934
5-butyl-2-chloropyridine-4-carboxylic acid
CID 87261779
2-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid
CID 52987939
5-chloro-2-(2-methylpropanoyl)benzoic acid
CID 154678261
2,5-dichloropyridine;2,5-dichloropyridine-4-carboxylic acid
CID 159095928
2-chloro-5-(4-methylphenyl)pyridine-4-carboxylic acid
CID 53222532
2-(2,5-dichloropyridine-4-carbonyl)butanoic acid
CID 89312309
6-chloro-4-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 23502836
6-chloro-4-methoxypyridine-3-carboxamide
CID 56773831
6-chloro-4-(propylamino)pyridine-3-carboxylic acid
CID 115028932

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-methylpropanoyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-4-(2-methylpropanoyl)pyridine-3-carboxylic acid (CID 156538639) is 6-chloro-4-(2-methylpropanoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4-(2-methylpropanoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-4-(2-methylpropanoyl)pyridine-3-carboxylic acid is CC(C)C(=O)c1cc(Cl)ncc1C(=O)O.
What is the InChIKey of 6-chloro-4-(2-methylpropanoyl)pyridine-3-carboxylic acid?
The InChIKey is MBRPJOQZUKLRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-5(2)9(13)6-3-8(11)12-4-7(6)10(14)15/h3-5H,1-2H3,(H,14,15).
What are the key properties of 6-chloro-4-(2-methylpropanoyl)pyridine-3-carboxylic acid?
6-chloro-4-(2-methylpropanoyl)pyridine-3-carboxylic acid has a molecular weight of 227.65 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-methylpropanoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 156538639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).