2-chloro-6-(1-cyanocyclopropyl)pyridine-4-carboxylic acid

C10H7ClN2O2 — CID 166162271

IUPAC2-chloro-6-(1-cyanocyclopropyl)pyridine-4-carboxylic acid
SMILESN#CC1(c2cc(C(=O)O)cc(Cl)n2)CC1
InChIInChI=1S/C10H7ClN2O2/c11-8-4-6(9(14)15)3-7(13-8)10(5-12)1-2-10/h3-4H,1-2H2,(H,14,15)
InChIKeyITRZZVYBPQVSMZ-UHFFFAOYSA-N
MW222.63 g/mol
LogP1.99
Rot. Bonds2

About 2-chloro-6-(1-cyanocyclopropyl)pyridine-4-carboxylic acid

2-chloro-6-(1-cyanocyclopropyl)pyridine-4-carboxylic acid (PubChem CID 166162271) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 2-chloro-6-(1-cyanocyclopropyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(1-cyanocyclopropyl)pyridine-4-carboxylic acid
PubChem CID166162271
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name2-chloro-6-(1-cyanocyclopropyl)pyridine-4-carboxylic acid
SMILESN#CC1(c2cc(C(=O)O)cc(Cl)n2)CC1
InChIInChI=1S/C10H7ClN2O2/c11-8-4-6(9(14)15)3-7(13-8)10(5-12)1-2-10/h3-4H,1-2H2,(H,14,15)
InChIKeyITRZZVYBPQVSMZ-UHFFFAOYSA-N
XLogP1.99
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-cyanocyclopropyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(1-cyanocyclopropyl)pyridine-4-carboxylic acid (CID 166162271) is 2-chloro-6-(1-cyanocyclopropyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(1-cyanocyclopropyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(1-cyanocyclopropyl)pyridine-4-carboxylic acid is N#CC1(c2cc(C(=O)O)cc(Cl)n2)CC1.
What is the InChIKey of 2-chloro-6-(1-cyanocyclopropyl)pyridine-4-carboxylic acid?
The InChIKey is ITRZZVYBPQVSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-8-4-6(9(14)15)3-7(13-8)10(5-12)1-2-10/h3-4H,1-2H2,(H,14,15).
What are the key properties of 2-chloro-6-(1-cyanocyclopropyl)pyridine-4-carboxylic acid?
2-chloro-6-(1-cyanocyclopropyl)pyridine-4-carboxylic acid has a molecular weight of 222.63 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-cyanocyclopropyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 166162271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).