trans-(1R,2R)-2-(3-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid

C9H8ClNO2 — CID 45489875

IUPACtrans-(1R,2R)-2-(3-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1ccncc1Cl
InChIInChI=1S/C9H8ClNO2/c10-8-4-11-2-1-5(8)6-3-7(6)9(12)13/h1-2,4,6-7H,3H2,(H,12,13)/t6-,7+/m0/s1
InChIKeyBIPDSLYSTXXOEW-NKWVEPMBSA-N
MW197.62 g/mol
LogP1.92
Rot. Bonds2

About trans-(1R,2R)-2-(3-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(3-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid (PubChem CID 45489875) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid
PubChem CID45489875
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Nametrans-(1R,2R)-2-(3-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1ccncc1Cl
InChIInChI=1S/C9H8ClNO2/c10-8-4-11-2-1-5(8)6-3-7(6)9(12)13/h1-2,4,6-7H,3H2,(H,12,13)/t6-,7+/m0/s1
InChIKeyBIPDSLYSTXXOEW-NKWVEPMBSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-(3-chloro-4-pyridinyl)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

Related Compounds

3-(Pyridin-4-yl)propanoic acid
CID 233243
3-(Pyridin-3-yl)propanoic acid
CID 259624
3-Pyridinebutanoic acid
CID 114
2-(6-Chloropyridin-3-yl)acetic acid
CID 14071571
CID 12904539
CID 12904539
3-[4-[2-(2-Chloro-4-pyridinyl)ethynyl]phenyl]propanoic acid
CID 44634024
7-Pyridin-3-ylheptanoic acid;hydrochloride
CID 12904548
6-Pyridin-3-ylhexanoic acid;hydrochloride
CID 12904561
8-Pyridin-3-yloctanoic acid;hydrochloride
CID 12904565
(Z)-7-Pyridin-3-yl-oct-6-enoic acid
CID 13417280
7-Pyridin-3-yl-oct-6-enoic acid
CID 13417281
7-Pyridin-3-yl-hept-6-enoic acid
CID 44330921

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(3-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid (CID 45489875) is trans-(1R,2R)-2-(3-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(3-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(3-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1c1ccncc1Cl.
What is the InChIKey of trans-(1R,2R)-2-(3-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid?
The InChIKey is BIPDSLYSTXXOEW-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-8-4-11-2-1-5(8)6-3-7(6)9(12)13/h1-2,4,6-7H,3H2,(H,12,13)/t6-,7+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(3-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(3-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid has a molecular weight of 197.62 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-chloro-4-pyridinyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 45489875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).