2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol

C13H18BrClN2O — CID 114836476

IUPAC2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol
SMILESOCCN(c1ncc(Cl)cc1Br)C1CCCCC1
InChIInChI=1S/C13H18BrClN2O/c14-12-8-10(15)9-16-13(12)17(6-7-18)11-4-2-1-3-5-11/h8-9,11,18H,1-7H2
InChIKeySNUGDLDYVCTBIO-UHFFFAOYSA-N
MW333.66 g/mol
LogP3.63
Rot. Bonds4

About 2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol

2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol (PubChem CID 114836476) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is 2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol
PubChem CID114836476
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC Name2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol
SMILESOCCN(c1ncc(Cl)cc1Br)C1CCCCC1
InChIInChI=1S/C13H18BrClN2O/c14-12-8-10(15)9-16-13(12)17(6-7-18)11-4-2-1-3-5-11/h8-9,11,18H,1-7H2
InChIKeySNUGDLDYVCTBIO-UHFFFAOYSA-N
XLogP3.63
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol 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

N'-(3-bromo-5-chloro-2-pyridinyl)-N'-cyclobutylethane-1,2-diamine
CID 102874697
2-[cyclopropyl-(3,5-dichloro-2-pyridinyl)amino]ethanol
CID 61146210
3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine
CID 114837268
5-chloro-N-(2-chloroethyl)-N-cyclohexyl-3-fluoropyridin-2-amine
CID 79734463
3-bromo-5-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 114837418
3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine
CID 114836828
2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol
CID 102675205
N-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine
CID 114836415
N'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
CID 103582177
3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114836834
3,5-dichloro-N-(2-chloroethyl)-N-cyclopropylpyridin-2-amine
CID 63390310
2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol
CID 113452105

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol?
The IUPAC name of 2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol (CID 114836476) is 2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol?
The canonical SMILES for 2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol is OCCN(c1ncc(Cl)cc1Br)C1CCCCC1.
What is the InChIKey of 2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol?
The InChIKey is SNUGDLDYVCTBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O/c14-12-8-10(15)9-16-13(12)17(6-7-18)11-4-2-1-3-5-11/h8-9,11,18H,1-7H2.
What are the key properties of 2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol?
2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol has a molecular weight of 333.66 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol is sourced from PubChem (CID 114836476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).