2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol

C14H13BrClNO — CID 79443451

IUPAC2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol
SMILESOCC(Cc1ccncc1Cl)c1cccc(Br)c1
InChIInChI=1S/C14H13BrClNO/c15-13-3-1-2-10(7-13)12(9-18)6-11-4-5-17-8-14(11)16/h1-5,7-8,12,18H,6,9H2
InChIKeyNLBGJAJRWBZOSV-UHFFFAOYSA-N
MW326.62 g/mol
LogP3.82
Rot. Bonds4

About 2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol

2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol (PubChem CID 79443451) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol
PubChem CID79443451
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol
SMILESOCC(Cc1ccncc1Cl)c1cccc(Br)c1
InChIInChI=1S/C14H13BrClNO/c15-13-3-1-2-10(7-13)12(9-18)6-11-4-5-17-8-14(11)16/h1-5,7-8,12,18H,6,9H2
InChIKeyNLBGJAJRWBZOSV-UHFFFAOYSA-N
XLogP3.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol 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

2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79430229
2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 104813203
4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine
CID 113461118
2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79433408
N-[2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)propyl]cyclopropanamine
CID 79433687
[1-(3-bromophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)propan-2-yl]hydrazine
CID 105238384
2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 114349841
2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol
CID 79443372
1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 107946091
1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 81446998
2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine
CID 112655522
3-(5-bromo-2-pyridinyl)-2-(3-chlorophenyl)propan-1-ol
CID 113456079

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol?
The IUPAC name of 2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol (CID 79443451) is 2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol.
What is the SMILES notation for 2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol?
The canonical SMILES for 2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol is OCC(Cc1ccncc1Cl)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol?
The InChIKey is NLBGJAJRWBZOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c15-13-3-1-2-10(7-13)12(9-18)6-11-4-5-17-8-14(11)16/h1-5,7-8,12,18H,6,9H2.
What are the key properties of 2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol?
2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol has a molecular weight of 326.62 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol is sourced from PubChem (CID 79443451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).