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

C9H10ClNO3 — CID 84723803

IUPAC5-chloro-6-oxo-3-propyl-1H-pyridine-2-carboxylic acid
SMILESCCCc1cc(Cl)c(=O)[nH]c1C(=O)O
InChIInChI=1S/C9H10ClNO3/c1-2-3-5-4-6(10)8(12)11-7(5)9(13)14/h4H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyBTMICXGJFXCBKN-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.68
Rot. Bonds3

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

5-chloro-6-oxo-3-propyl-1H-pyridine-2-carboxylic acid (PubChem CID 84723803) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 5-chloro-6-oxo-3-propyl-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-oxo-3-propyl-1H-pyridine-2-carboxylic acid
PubChem CID84723803
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name5-chloro-6-oxo-3-propyl-1H-pyridine-2-carboxylic acid
SMILESCCCc1cc(Cl)c(=O)[nH]c1C(=O)O
InChIInChI=1S/C9H10ClNO3/c1-2-3-5-4-6(10)8(12)11-7(5)9(13)14/h4H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyBTMICXGJFXCBKN-UHFFFAOYSA-N
XLogP1.68
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-3-propyl-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-6-oxo-3-propyl-1H-pyridine-2-carboxylic acid (CID 84723803) is 5-chloro-6-oxo-3-propyl-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-6-oxo-3-propyl-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-6-oxo-3-propyl-1H-pyridine-2-carboxylic acid is CCCc1cc(Cl)c(=O)[nH]c1C(=O)O.
What is the InChIKey of 5-chloro-6-oxo-3-propyl-1H-pyridine-2-carboxylic acid?
The InChIKey is BTMICXGJFXCBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-2-3-5-4-6(10)8(12)11-7(5)9(13)14/h4H,2-3H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-chloro-6-oxo-3-propyl-1H-pyridine-2-carboxylic acid?
5-chloro-6-oxo-3-propyl-1H-pyridine-2-carboxylic acid has a molecular weight of 215.64 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-3-propyl-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 84723803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).