cis-(1R,2R)-2-[(2-chloro-3-pyridinyl)oxymethyl]cyclopropane-1-carboxylic acid

C10H10ClNO3 — CID 167944004

IUPACcis-(1R,2R)-2-[(2-chloro-3-pyridinyl)oxymethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1COc1cccnc1Cl
InChIInChI=1S/C10H10ClNO3/c11-9-8(2-1-3-12-9)15-5-6-4-7(6)10(13)14/h1-3,6-7H,4-5H2,(H,13,14)/t6-,7+/m0/s1
InChIKeySCCLGRKNFSFOGM-NKWVEPMBSA-N
MW227.65 g/mol
LogP1.83
Rot. Bonds4

About cis-(1R,2R)-2-[(2-chloro-3-pyridinyl)oxymethyl]cyclopropane-1-carboxylic acid

cis-(1R,2R)-2-[(2-chloro-3-pyridinyl)oxymethyl]cyclopropane-1-carboxylic acid (PubChem CID 167944004) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is cis-(1R,2R)-2-[(2-chloro-3-pyridinyl)oxymethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-2-[(2-chloro-3-pyridinyl)oxymethyl]cyclopropane-1-carboxylic acid
PubChem CID167944004
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Namecis-(1R,2R)-2-[(2-chloro-3-pyridinyl)oxymethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1COc1cccnc1Cl
InChIInChI=1S/C10H10ClNO3/c11-9-8(2-1-3-12-9)15-5-6-4-7(6)10(13)14/h1-3,6-7H,4-5H2,(H,13,14)/t6-,7+/m0/s1
InChIKeySCCLGRKNFSFOGM-NKWVEPMBSA-N
XLogP1.83
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cis-(1R,2R)-2-[(2-chloro-3-pyridinyl)oxymethyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[(2-chloro-3-pyridinyl)oxymethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-2-[(2-chloro-3-pyridinyl)oxymethyl]cyclopropane-1-carboxylic acid (CID 167944004) is cis-(1R,2R)-2-[(2-chloro-3-pyridinyl)oxymethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-2-[(2-chloro-3-pyridinyl)oxymethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-2-[(2-chloro-3-pyridinyl)oxymethyl]cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1COc1cccnc1Cl.
What is the InChIKey of cis-(1R,2R)-2-[(2-chloro-3-pyridinyl)oxymethyl]cyclopropane-1-carboxylic acid?
The InChIKey is SCCLGRKNFSFOGM-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H10ClNO3/c11-9-8(2-1-3-12-9)15-5-6-4-7(6)10(13)14/h1-3,6-7H,4-5H2,(H,13,14)/t6-,7+/m0/s1.
What are the key properties of cis-(1R,2R)-2-[(2-chloro-3-pyridinyl)oxymethyl]cyclopropane-1-carboxylic acid?
cis-(1R,2R)-2-[(2-chloro-3-pyridinyl)oxymethyl]cyclopropane-1-carboxylic acid has a molecular weight of 227.65 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[(2-chloro-3-pyridinyl)oxymethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 167944004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).