1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol

C14H13ClFNO — CID 62608464

IUPAC1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol
SMILESOC(Cc1cccnc1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H13ClFNO/c15-14-8-12(16)4-3-11(14)7-13(18)6-10-2-1-5-17-9-10/h1-5,8-9,13,18H,6-7H2
InChIKeyRMFNJSRKWQYKMP-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.02
Rot. Bonds4

About 1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol

1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol (PubChem CID 62608464) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol
PubChem CID62608464
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol
SMILESOC(Cc1cccnc1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H13ClFNO/c15-14-8-12(16)4-3-11(14)7-13(18)6-10-2-1-5-17-9-10/h1-5,8-9,13,18H,6-7H2
InChIKeyRMFNJSRKWQYKMP-UHFFFAOYSA-N
XLogP3.02
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol
CID 107884225
1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105081155
1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol
CID 106868066
1-(2-chloro-4-fluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79745107
1-(2-bromophenyl)-3-pyridin-3-ylpropan-2-ol
CID 62553405
1-(2,5-dimethylphenyl)-3-pyridin-3-ylpropan-2-ol
CID 62552066
1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 62607073
(2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 94505356
1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol
CID 114347424
1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol
CID 106867250
1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 63410897
1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63035603

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol (CID 62608464) is 1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol is OC(Cc1cccnc1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol?
The InChIKey is RMFNJSRKWQYKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c15-14-8-12(16)4-3-11(14)7-13(18)6-10-2-1-5-17-9-10/h1-5,8-9,13,18H,6-7H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol?
1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol has a molecular weight of 265.72 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 62608464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).