4-chloro-5-methylpyridine-2-carboxylic acid

C7H6ClNO2 — CID 53440014

IUPAC4-chloro-5-methylpyridine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)cc1Cl
InChIInChI=1S/C7H6ClNO2/c1-4-3-9-6(7(10)11)2-5(4)8/h2-3H,1H3,(H,10,11)
InChIKeyIIYOXHJTMDXVMM-UHFFFAOYSA-N
MW171.58 g/mol
LogP1.74
Rot. Bonds1

About 4-chloro-5-methylpyridine-2-carboxylic acid

4-chloro-5-methylpyridine-2-carboxylic acid (PubChem CID 53440014) has the molecular formula C7H6ClNO2 and a molecular weight of 171.58 g/mol. Its IUPAC name is 4-chloro-5-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-5-methylpyridine-2-carboxylic acid
PubChem CID53440014
Molecular FormulaC7H6ClNO2
Molecular Weight171.58 g/mol
Exact Mass171.01
IUPAC Name4-chloro-5-methylpyridine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)cc1Cl
InChIInChI=1S/C7H6ClNO2/c1-4-3-9-6(7(10)11)2-5(4)8/h2-3H,1H3,(H,10,11)
InChIKeyIIYOXHJTMDXVMM-UHFFFAOYSA-N
XLogP1.74
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.58
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methylpyridine-2-carboxylic acid?
The IUPAC name of 4-chloro-5-methylpyridine-2-carboxylic acid (CID 53440014) is 4-chloro-5-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-chloro-5-methylpyridine-2-carboxylic acid?
The canonical SMILES for 4-chloro-5-methylpyridine-2-carboxylic acid is Cc1cnc(C(=O)O)cc1Cl.
What is the InChIKey of 4-chloro-5-methylpyridine-2-carboxylic acid?
The InChIKey is IIYOXHJTMDXVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2/c1-4-3-9-6(7(10)11)2-5(4)8/h2-3H,1H3,(H,10,11).
What are the key properties of 4-chloro-5-methylpyridine-2-carboxylic acid?
4-chloro-5-methylpyridine-2-carboxylic acid has a molecular weight of 171.58 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 53440014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).