2-[(3-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid

C12H13BrN2O3 — CID 103978891

IUPAC2-[(3-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)Nc1ncccc1Br
InChIInChI=1S/C12H13BrN2O3/c13-9-5-2-6-14-10(9)15-11(16)7-3-1-4-8(7)12(17)18/h2,5-8H,1,3-4H2,(H,17,18)(H,14,15,16)
InChIKeyIUKDHWGTRKAQFC-UHFFFAOYSA-N
MW313.15 g/mol
LogP2.28
Rot. Bonds3

About 2-[(3-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid

2-[(3-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978891) has the molecular formula C12H13BrN2O3 and a molecular weight of 313.15 g/mol. Its IUPAC name is 2-[(3-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978891
Molecular FormulaC12H13BrN2O3
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name2-[(3-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)Nc1ncccc1Br
InChIInChI=1S/C12H13BrN2O3/c13-9-5-2-6-14-10(9)15-11(16)7-3-1-4-8(7)12(17)18/h2,5-8H,1,3-4H2,(H,17,18)(H,14,15,16)
InChIKeyIUKDHWGTRKAQFC-UHFFFAOYSA-N
XLogP2.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 756841
2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid
CID 63654626
N-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567176
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
4-[(3-bromo-2-pyridinyl)amino]-4-oxobut-2-enoic acid
CID 77071914
cis-(1S,2R)-2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093284
cis-(1S,2R)-2-[(2-chloro-4-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092714
3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid
CID 107175917
2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107571596
3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820933
2-[(4-bromo-2,3-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 104576281
2-[(5-bromo-2,4-difluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 102852552

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103978891) is 2-[(3-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)Nc1ncccc1Br.
What is the InChIKey of 2-[(3-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is IUKDHWGTRKAQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3/c13-9-5-2-6-14-10(9)15-11(16)7-3-1-4-8(7)12(17)18/h2,5-8H,1,3-4H2,(H,17,18)(H,14,15,16).
What are the key properties of 2-[(3-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[(3-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 313.15 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).