3-(5-bromo-2-pyridinyl)-2-(3-chlorophenyl)propan-1-ol

C14H13BrClNO — CID 113456079

IUPAC3-(5-bromo-2-pyridinyl)-2-(3-chlorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(Br)cn1)c1cccc(Cl)c1
InChIInChI=1S/C14H13BrClNO/c15-12-4-5-14(17-8-12)7-11(9-18)10-2-1-3-13(16)6-10/h1-6,8,11,18H,7,9H2
InChIKeyZZAVUBDIRJLGAR-UHFFFAOYSA-N
MW326.62 g/mol
LogP3.82
Rot. Bonds4

About 3-(5-bromo-2-pyridinyl)-2-(3-chlorophenyl)propan-1-ol

3-(5-bromo-2-pyridinyl)-2-(3-chlorophenyl)propan-1-ol (PubChem CID 113456079) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-2-(3-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-2-(3-chlorophenyl)propan-1-ol
PubChem CID113456079
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name3-(5-bromo-2-pyridinyl)-2-(3-chlorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(Br)cn1)c1cccc(Cl)c1
InChIInChI=1S/C14H13BrClNO/c15-12-4-5-14(17-8-12)7-11(9-18)10-2-1-3-13(16)6-10/h1-6,8,11,18H,7,9H2
InChIKeyZZAVUBDIRJLGAR-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

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Related Compounds

3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol
CID 104813197
5-bromo-2-(3-bromo-2-phenylpropyl)pyridine
CID 104813337
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114019369
2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol
CID 104813182
2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol
CID 112645258
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
CID 107978662
2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol
CID 79443451
2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 104800394
1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114027189
3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propanoic acid
CID 104800741
2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol
CID 79443229

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-2-(3-chlorophenyl)propan-1-ol?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-2-(3-chlorophenyl)propan-1-ol (CID 113456079) is 3-(5-bromo-2-pyridinyl)-2-(3-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-2-(3-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-2-(3-chlorophenyl)propan-1-ol is OCC(Cc1ccc(Br)cn1)c1cccc(Cl)c1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-2-(3-chlorophenyl)propan-1-ol?
The InChIKey is ZZAVUBDIRJLGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c15-12-4-5-14(17-8-12)7-11(9-18)10-2-1-3-13(16)6-10/h1-6,8,11,18H,7,9H2.
What are the key properties of 3-(5-bromo-2-pyridinyl)-2-(3-chlorophenyl)propan-1-ol?
3-(5-bromo-2-pyridinyl)-2-(3-chlorophenyl)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 3-(5-bromo-2-pyridinyl)-2-(3-chlorophenyl)propan-1-ol is sourced from PubChem (CID 113456079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).