1-(2-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid

C9H8ClNO2 — CID 71743248

IUPAC1-(2-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccnc(Cl)c2)CC1
InChIInChI=1S/C9H8ClNO2/c10-7-5-6(1-4-11-7)9(2-3-9)8(12)13/h1,4-5H,2-3H2,(H,12,13)
InChIKeyIHNOGJMTHCZPOU-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.85
Rot. Bonds2

About 1-(2-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid

1-(2-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid (PubChem CID 71743248) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid
PubChem CID71743248
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name1-(2-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccnc(Cl)c2)CC1
InChIInChI=1S/C9H8ClNO2/c10-7-5-6(1-4-11-7)9(2-3-9)8(12)13/h1,4-5H,2-3H2,(H,12,13)
InChIKeyIHNOGJMTHCZPOU-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(2-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid (CID 71743248) is 1-(2-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccnc(Cl)c2)CC1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid?
The InChIKey is IHNOGJMTHCZPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-7-5-6(1-4-11-7)9(2-3-9)8(12)13/h1,4-5H,2-3H2,(H,12,13).
What are the key properties of 1-(2-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid?
1-(2-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid has a molecular weight of 197.62 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 71743248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).