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

C14H13ClFNO — CID 81262481

IUPAC1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
SMILESCC(c1ccncc1)C(O)c1cccc(Cl)c1F
InChIInChI=1S/C14H13ClFNO/c1-9(10-5-7-17-8-6-10)14(18)11-3-2-4-12(15)13(11)16/h2-9,14,18H,1H3
InChIKeyULPBVEFVAWTRDF-UHFFFAOYSA-N
MW265.71 g/mol
LogP3.71
Rot. Bonds3

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

1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol (PubChem CID 81262481) has the molecular formula C14H13ClFNO and a molecular weight of 265.71 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
PubChem CID81262481
Molecular FormulaC14H13ClFNO
Molecular Weight265.71 g/mol
Exact Mass265.07
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
SMILESCC(c1ccncc1)C(O)c1cccc(Cl)c1F
InChIInChI=1S/C14H13ClFNO/c1-9(10-5-7-17-8-6-10)14(18)11-3-2-4-12(15)13(11)16/h2-9,14,18H,1H3
InChIKeyULPBVEFVAWTRDF-UHFFFAOYSA-N
XLogP3.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712910
1-chloro-2-fluoro-3-[(2S)-3-methylbutan-2-yl]benzene
CID 147465889
3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline
CID 43122983
3-amino-1-(3-chloro-2-fluorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 81262776
3-chloro-1-(3-chloro-2-fluorophenyl)propane-1,2-diol
CID 171861609
1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 66461487
methyl 3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-methylpropanoate
CID 114488817
1-isoquinolin-5-yl-2-phenylpropan-1-ol
CID 63899974
1-(3-chloro-4-iodophenyl)-2-pyridin-4-ylpropan-1-ol
CID 103222612
2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol
CID 81262394
1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 53395655
(1S)-1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 71074536

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol (CID 81262481) is 1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol is CC(c1ccncc1)C(O)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol?
The InChIKey is ULPBVEFVAWTRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-9(10-5-7-17-8-6-10)14(18)11-3-2-4-12(15)13(11)16/h2-9,14,18H,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol?
1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol has a molecular weight of 265.71 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 81262481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).