1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol

C14H13BrClNO — CID 107995601

IUPAC1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol
SMILESCC(c1ccccn1)C(O)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H13BrClNO/c1-9(13-4-2-3-7-17-13)14(18)11-6-5-10(16)8-12(11)15/h2-9,14,18H,1H3
InChIKeyUNBWUTHFYCYDNB-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.33
Rot. Bonds3

About 1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol

1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol (PubChem CID 107995601) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol
PubChem CID107995601
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol
SMILESCC(c1ccccn1)C(O)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H13BrClNO/c1-9(13-4-2-3-7-17-13)14(18)11-6-5-10(16)8-12(11)15/h2-9,14,18H,1H3
InChIKeyUNBWUTHFYCYDNB-UHFFFAOYSA-N
XLogP4.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-2-pyridin-2-ylpropan-1-ol
CID 66459713
1-(2-bromo-5-fluorophenyl)-2-pyridin-2-ylpropan-1-ol
CID 66459103
1-(2-chloro-4-fluorophenyl)-2-pyridin-2-ylpropan-1-ol
CID 66460513
2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
CID 66453990
1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylpropan-1-ol
CID 107995597
1-(5-chlorofuran-2-yl)-2-pyridin-2-ylpropan-1-ol
CID 106690716
1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine
CID 66448579
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
CID 28766943
1-(3,5-dimethoxyphenyl)-2-pyridin-2-ylpropan-1-ol
CID 66460720
1-(2-methoxy-5-methylphenyl)-2-pyridin-2-ylpropan-1-ol
CID 66459919
2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine
CID 66454208
2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol
CID 54314992

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol (CID 107995601) is 1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol is CC(c1ccccn1)C(O)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol?
The InChIKey is UNBWUTHFYCYDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-9(13-4-2-3-7-17-13)14(18)11-6-5-10(16)8-12(11)15/h2-9,14,18H,1H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol?
1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol has a molecular weight of 326.62 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 107995601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).