1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol

C15H15ClFNO — CID 112585919

IUPAC1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
SMILESCCC(O)(Cc1cccc(Cl)c1)c1ccc(F)cn1
InChIInChI=1S/C15H15ClFNO/c1-2-15(19,14-7-6-13(17)10-18-14)9-11-4-3-5-12(16)8-11/h3-8,10,19H,2,9H2,1H3
InChIKeyQWTLCONVNJCXST-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.71
Rot. Bonds4

About 1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol

1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol (PubChem CID 112585919) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
PubChem CID112585919
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
SMILESCCC(O)(Cc1cccc(Cl)c1)c1ccc(F)cn1
InChIInChI=1S/C15H15ClFNO/c1-2-15(19,14-7-6-13(17)10-18-14)9-11-4-3-5-12(16)8-11/h3-8,10,19H,2,9H2,1H3
InChIKeyQWTLCONVNJCXST-UHFFFAOYSA-N
XLogP3.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 115940685
2-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylbutan-2-ol
CID 112585843
1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 114347015
2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol
CID 112586602
3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol
CID 112585804
1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83124840
1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585922
3-(5-fluoro-2-pyridinyl)-6-methoxyhexan-3-ol
CID 114852677
1,2-bis(3-fluorophenyl)butan-2-ol
CID 114872358
1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585875
1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83124846
1-chloro-2-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)propan-2-ol
CID 68777487

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol?
The IUPAC name of 1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol (CID 112585919) is 1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol?
The canonical SMILES for 1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol is CCC(O)(Cc1cccc(Cl)c1)c1ccc(F)cn1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol?
The InChIKey is QWTLCONVNJCXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-2-15(19,14-7-6-13(17)10-18-14)9-11-4-3-5-12(16)8-11/h3-8,10,19H,2,9H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol?
1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol has a molecular weight of 279.74 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol is sourced from PubChem (CID 112585919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).