4-chloro-3-prop-1-enylpyridine-2-carboxylic acid

C9H8ClNO2 — CID 67471256

IUPAC4-chloro-3-prop-1-enylpyridine-2-carboxylic acid
SMILESCC=Cc1c(Cl)ccnc1C(=O)O
InChIInChI=1S/C9H8ClNO2/c1-2-3-6-7(10)4-5-11-8(6)9(12)13/h2-5H,1H3,(H,12,13)
InChIKeyLMSPYAGOZJRIOU-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.47
Rot. Bonds2

About 4-chloro-3-prop-1-enylpyridine-2-carboxylic acid

4-chloro-3-prop-1-enylpyridine-2-carboxylic acid (PubChem CID 67471256) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 4-chloro-3-prop-1-enylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-3-prop-1-enylpyridine-2-carboxylic acid
PubChem CID67471256
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name4-chloro-3-prop-1-enylpyridine-2-carboxylic acid
SMILESCC=Cc1c(Cl)ccnc1C(=O)O
InChIInChI=1S/C9H8ClNO2/c1-2-3-6-7(10)4-5-11-8(6)9(12)13/h2-5H,1H3,(H,12,13)
InChIKeyLMSPYAGOZJRIOU-UHFFFAOYSA-N
XLogP2.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-prop-1-enylpyridine-2-carboxylic acid?
The IUPAC name of 4-chloro-3-prop-1-enylpyridine-2-carboxylic acid (CID 67471256) is 4-chloro-3-prop-1-enylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-chloro-3-prop-1-enylpyridine-2-carboxylic acid?
The canonical SMILES for 4-chloro-3-prop-1-enylpyridine-2-carboxylic acid is CC=Cc1c(Cl)ccnc1C(=O)O.
What is the InChIKey of 4-chloro-3-prop-1-enylpyridine-2-carboxylic acid?
The InChIKey is LMSPYAGOZJRIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-2-3-6-7(10)4-5-11-8(6)9(12)13/h2-5H,1H3,(H,12,13).
What are the key properties of 4-chloro-3-prop-1-enylpyridine-2-carboxylic acid?
4-chloro-3-prop-1-enylpyridine-2-carboxylic acid has a molecular weight of 197.62 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-prop-1-enylpyridine-2-carboxylic acid is sourced from PubChem (CID 67471256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).