1-[(6-chloro-3-pyridinyl)methyl]cyclopropane-1-carboxylic acid

C10H10ClNO2 — CID 83065886

IUPAC1-[(6-chloro-3-pyridinyl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccc(Cl)nc2)CC1
InChIInChI=1S/C10H10ClNO2/c11-8-2-1-7(6-12-8)5-10(3-4-10)9(13)14/h1-2,6H,3-5H2,(H,13,14)
InChIKeyUVXFVXPSSUJILH-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.14
Rot. Bonds3

About 1-[(6-chloro-3-pyridinyl)methyl]cyclopropane-1-carboxylic acid

1-[(6-chloro-3-pyridinyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 83065886) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID83065886
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name1-[(6-chloro-3-pyridinyl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccc(Cl)nc2)CC1
InChIInChI=1S/C10H10ClNO2/c11-8-2-1-7(6-12-8)5-10(3-4-10)9(13)14/h1-2,6H,3-5H2,(H,13,14)
InChIKeyUVXFVXPSSUJILH-UHFFFAOYSA-N
XLogP2.14
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.14
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-[(6-chloro-3-pyridinyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]cyclopropane-1-carboxylic acid (CID 83065886) is 1-[(6-chloro-3-pyridinyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)methyl]cyclopropane-1-carboxylic acid is O=C(O)C1(Cc2ccc(Cl)nc2)CC1.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is UVXFVXPSSUJILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-8-2-1-7(6-12-8)5-10(3-4-10)9(13)14/h1-2,6H,3-5H2,(H,13,14).
What are the key properties of 1-[(6-chloro-3-pyridinyl)methyl]cyclopropane-1-carboxylic acid?
1-[(6-chloro-3-pyridinyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 211.65 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83065886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).