3-chloro-5-cyanopyridine-2-carboxylic acid

C7H3ClN2O2 — CID 50853176

IUPAC3-chloro-5-cyanopyridine-2-carboxylic acid
SMILESN#Cc1cnc(C(=O)O)c(Cl)c1
InChIInChI=1S/C7H3ClN2O2/c8-5-1-4(2-9)3-10-6(5)7(11)12/h1,3H,(H,11,12)
InChIKeyNHQRPMDOQOKWPU-UHFFFAOYSA-N
MW182.57 g/mol
LogP1.30
Rot. Bonds1

About 3-chloro-5-cyanopyridine-2-carboxylic acid

3-chloro-5-cyanopyridine-2-carboxylic acid (PubChem CID 50853176) has the molecular formula C7H3ClN2O2 and a molecular weight of 182.57 g/mol. Its IUPAC name is 3-chloro-5-cyanopyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-5-cyanopyridine-2-carboxylic acid
PubChem CID50853176
Molecular FormulaC7H3ClN2O2
Molecular Weight182.57 g/mol
Exact Mass181.99
IUPAC Name3-chloro-5-cyanopyridine-2-carboxylic acid
SMILESN#Cc1cnc(C(=O)O)c(Cl)c1
InChIInChI=1S/C7H3ClN2O2/c8-5-1-4(2-9)3-10-6(5)7(11)12/h1,3H,(H,11,12)
InChIKeyNHQRPMDOQOKWPU-UHFFFAOYSA-N
XLogP1.30
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.57
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyanopyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-5-cyanopyridine-2-carboxylic acid (CID 50853176) is 3-chloro-5-cyanopyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-5-cyanopyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-5-cyanopyridine-2-carboxylic acid is N#Cc1cnc(C(=O)O)c(Cl)c1.
What is the InChIKey of 3-chloro-5-cyanopyridine-2-carboxylic acid?
The InChIKey is NHQRPMDOQOKWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2O2/c8-5-1-4(2-9)3-10-6(5)7(11)12/h1,3H,(H,11,12).
What are the key properties of 3-chloro-5-cyanopyridine-2-carboxylic acid?
3-chloro-5-cyanopyridine-2-carboxylic acid has a molecular weight of 182.57 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyanopyridine-2-carboxylic acid is sourced from PubChem (CID 50853176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).