5-chloro-3-cyclopropyl-6-oxo-1H-pyridine-2-carboxylic acid

C9H8ClNO3 — CID 84723555

IUPAC5-chloro-3-cyclopropyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)c(Cl)cc1C1CC1
InChIInChI=1S/C9H8ClNO3/c10-6-3-5(4-1-2-4)7(9(13)14)11-8(6)12/h3-4H,1-2H2,(H,11,12)(H,13,14)
InChIKeyGUCUQINRBNBXQD-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.60
Rot. Bonds2

About 5-chloro-3-cyclopropyl-6-oxo-1H-pyridine-2-carboxylic acid

5-chloro-3-cyclopropyl-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 84723555) has the molecular formula C9H8ClNO3 and a molecular weight of 213.62 g/mol. Its IUPAC name is 5-chloro-3-cyclopropyl-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-cyclopropyl-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID84723555
Molecular FormulaC9H8ClNO3
Molecular Weight213.62 g/mol
Exact Mass213.02
IUPAC Name5-chloro-3-cyclopropyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)c(Cl)cc1C1CC1
InChIInChI=1S/C9H8ClNO3/c10-6-3-5(4-1-2-4)7(9(13)14)11-8(6)12/h3-4H,1-2H2,(H,11,12)(H,13,14)
InChIKeyGUCUQINRBNBXQD-UHFFFAOYSA-N
XLogP1.60
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopropyl-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-3-cyclopropyl-6-oxo-1H-pyridine-2-carboxylic acid (CID 84723555) is 5-chloro-3-cyclopropyl-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-3-cyclopropyl-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-3-cyclopropyl-6-oxo-1H-pyridine-2-carboxylic acid is O=C(O)c1[nH]c(=O)c(Cl)cc1C1CC1.
What is the InChIKey of 5-chloro-3-cyclopropyl-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is GUCUQINRBNBXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3/c10-6-3-5(4-1-2-4)7(9(13)14)11-8(6)12/h3-4H,1-2H2,(H,11,12)(H,13,14).
What are the key properties of 5-chloro-3-cyclopropyl-6-oxo-1H-pyridine-2-carboxylic acid?
5-chloro-3-cyclopropyl-6-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 213.62 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopropyl-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 84723555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).