1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol

C15H15ClFNO — CID 103053358

IUPAC1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
SMILESOC(CCc1ccncc1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C15H15ClFNO/c16-13-2-4-15(17)12(9-13)10-14(19)3-1-11-5-7-18-8-6-11/h2,4-9,14,19H,1,3,10H2
InChIKeyAJGCJHVSYIWNSA-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.41
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol

1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol (PubChem CID 103053358) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
PubChem CID103053358
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
SMILESOC(CCc1ccncc1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C15H15ClFNO/c16-13-2-4-15(17)12(9-13)10-14(19)3-1-11-5-7-18-8-6-11/h2,4-9,14,19H,1,3,10H2
InChIKeyAJGCJHVSYIWNSA-UHFFFAOYSA-N
XLogP3.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 102623110
1-(5-chloro-2-fluorophenyl)-N-methyl-4-pyridin-4-ylbutan-2-amine
CID 103053100
1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 105121810
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 103053170
1-(5-chloro-2-fluorophenyl)-5-phenylpentan-2-ol
CID 103053443
1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 114854587
2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol
CID 103047540
1-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol
CID 105377685
1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105081155
1-(5-bromo-2-fluorophenyl)-4-phenylbutan-2-ol
CID 55095424
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol
CID 105125656
1-(5-ethylthiophen-2-yl)-4-pyridin-4-ylbutan-2-ol
CID 105087600

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol (CID 103053358) is 1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol is OC(CCc1ccncc1)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol?
The InChIKey is AJGCJHVSYIWNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c16-13-2-4-15(17)12(9-13)10-14(19)3-1-11-5-7-18-8-6-11/h2,4-9,14,19H,1,3,10H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol?
1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol has a molecular weight of 279.74 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol is sourced from PubChem (CID 103053358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).