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

C9H8BrNO2 — CID 175483462

IUPAC2-(4-bromo-2-pyridinyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1cc(Br)ccn1
InChIInChI=1S/C9H8BrNO2/c10-5-1-2-11-8(3-5)6-4-7(6)9(12)13/h1-3,6-7H,4H2,(H,12,13)
InChIKeyWUBMPVPTKZTOSL-UHFFFAOYSA-N
MW242.07 g/mol
LogP2.03
Rot. Bonds2

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

2-(4-bromo-2-pyridinyl)cyclopropane-1-carboxylic acid (PubChem CID 175483462) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is 2-(4-bromo-2-pyridinyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromo-2-pyridinyl)cyclopropane-1-carboxylic acid
PubChem CID175483462
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC Name2-(4-bromo-2-pyridinyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1cc(Br)ccn1
InChIInChI=1S/C9H8BrNO2/c10-5-1-2-11-8(3-5)6-4-7(6)9(12)13/h1-3,6-7H,4H2,(H,12,13)
InChIKeyWUBMPVPTKZTOSL-UHFFFAOYSA-N
XLogP2.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(2-ethylcyclopropyl)pyridine
CID 126586399
2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 116962934
(1S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxamide
CID 175507768
trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid
CID 39235850
ethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 170751211
trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 93299464
trans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 170693913
trans-(1R,2R)-2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylic acid
CID 96662930
trans-(1S,2S)-2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylic acid
CID 135239855
trans-methyl (1S,2S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxylate
CID 170693888
ethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid
CID 165405571
trans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 154832497

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-pyridinyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-bromo-2-pyridinyl)cyclopropane-1-carboxylic acid (CID 175483462) is 2-(4-bromo-2-pyridinyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-bromo-2-pyridinyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-bromo-2-pyridinyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1cc(Br)ccn1.
What is the InChIKey of 2-(4-bromo-2-pyridinyl)cyclopropane-1-carboxylic acid?
The InChIKey is WUBMPVPTKZTOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2/c10-5-1-2-11-8(3-5)6-4-7(6)9(12)13/h1-3,6-7H,4H2,(H,12,13).
What are the key properties of 2-(4-bromo-2-pyridinyl)cyclopropane-1-carboxylic acid?
2-(4-bromo-2-pyridinyl)cyclopropane-1-carboxylic acid has a molecular weight of 242.07 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-pyridinyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 175483462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).