4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid

C12H15BrN2O2 — CID 118092598

IUPAC4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C12H15BrN2O2/c13-9-3-6-11(14-7-9)15-10-4-1-8(2-5-10)12(16)17/h3,6-8,10H,1-2,4-5H2,(H,14,15)(H,16,17)
InChIKeyYPKBTNIEKKJWLA-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.90
Rot. Bonds3

About 4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid

4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 118092598) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
PubChem CID118092598
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C12H15BrN2O2/c13-9-3-6-11(14-7-9)15-10-4-1-8(2-5-10)12(16)17/h3,6-8,10H,1-2,4-5H2,(H,14,15)(H,16,17)
InChIKeyYPKBTNIEKKJWLA-UHFFFAOYSA-N
XLogP2.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(5-bromo-2-pyridinyl)amino]cyclohexane-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

4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 66279255
4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 62958596
trans-(1R,3R)-3-[(5-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 95401107
5-bromo-N-(3-methoxycyclopentyl)pyridin-2-amine
CID 103081976
4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 168882205
4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 122059880
4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]cyclohexane-1-carboxylic acid
CID 122059972
3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 66032182
4-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid
CID 140978166
4-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 61227666
5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71636366
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine
CID 29049157

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid (CID 118092598) is 4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Nc2ccc(Br)cn2)CC1.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is YPKBTNIEKKJWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-9-3-6-11(14-7-9)15-10-4-1-8(2-5-10)12(16)17/h3,6-8,10H,1-2,4-5H2,(H,14,15)(H,16,17).
What are the key properties of 4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 299.17 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 118092598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).