2-(3,5-dichloro-2-pyridinyl)cyclopropane-1-carboxylic acid

C9H7Cl2NO2 — CID 66918073

IUPAC2-(3,5-dichloro-2-pyridinyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ncc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl2NO2/c10-4-1-7(11)8(12-3-4)5-2-6(5)9(13)14/h1,3,5-6H,2H2,(H,13,14)
InChIKeyWCIIFPOPALOWHJ-UHFFFAOYSA-N
MW232.07 g/mol
LogP2.58
Rot. Bonds2

About 2-(3,5-dichloro-2-pyridinyl)cyclopropane-1-carboxylic acid

2-(3,5-dichloro-2-pyridinyl)cyclopropane-1-carboxylic acid (PubChem CID 66918073) has the molecular formula C9H7Cl2NO2 and a molecular weight of 232.07 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-pyridinyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dichloro-2-pyridinyl)cyclopropane-1-carboxylic acid
PubChem CID66918073
Molecular FormulaC9H7Cl2NO2
Molecular Weight232.07 g/mol
Exact Mass230.99
IUPAC Name2-(3,5-dichloro-2-pyridinyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ncc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl2NO2/c10-4-1-7(11)8(12-3-4)5-2-6(5)9(13)14/h1,3,5-6H,2H2,(H,13,14)
InChIKeyWCIIFPOPALOWHJ-UHFFFAOYSA-N
XLogP2.58
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-pyridinyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(3,5-dichloro-2-pyridinyl)cyclopropane-1-carboxylic acid (CID 66918073) is 2-(3,5-dichloro-2-pyridinyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(3,5-dichloro-2-pyridinyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(3,5-dichloro-2-pyridinyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1ncc(Cl)cc1Cl.
What is the InChIKey of 2-(3,5-dichloro-2-pyridinyl)cyclopropane-1-carboxylic acid?
The InChIKey is WCIIFPOPALOWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO2/c10-4-1-7(11)8(12-3-4)5-2-6(5)9(13)14/h1,3,5-6H,2H2,(H,13,14).
What are the key properties of 2-(3,5-dichloro-2-pyridinyl)cyclopropane-1-carboxylic acid?
2-(3,5-dichloro-2-pyridinyl)cyclopropane-1-carboxylic acid has a molecular weight of 232.07 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-pyridinyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 66918073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).