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

C15H15ClFNO — CID 102623110

IUPAC1-(2-chloro-5-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
SMILESOC(CCc1ccncc1)Cc1cc(F)ccc1Cl
InChIInChI=1S/C15H15ClFNO/c16-15-4-2-13(17)9-12(15)10-14(19)3-1-11-5-7-18-8-6-11/h2,4-9,14,19H,1,3,10H2
InChIKeyCLCYIRAPYISWKJ-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.41
Rot. Bonds5

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

1-(2-chloro-5-fluorophenyl)-4-pyridin-4-ylbutan-2-ol (PubChem CID 102623110) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-4-pyridin-4-ylbutan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
PubChem CID102623110
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-(2-chloro-5-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
SMILESOC(CCc1ccncc1)Cc1cc(F)ccc1Cl
InChIInChI=1S/C15H15ClFNO/c16-15-4-2-13(17)9-12(15)10-14(19)3-1-11-5-7-18-8-6-11/h2,4-9,14,19H,1,3,10H2
InChIKeyCLCYIRAPYISWKJ-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-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol
CID 105377685
1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 103053358
2-(2-chloro-5-fluorophenyl)-1-pyridin-4-ylethanol
CID 102617218
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol
CID 105125656
1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 105121810
1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105081155
1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 102617916
1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 65444557
1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 102623074
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 102622472
3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol
CID 102618230
1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol
CID 102623078

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-4-pyridin-4-ylbutan-2-ol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-4-pyridin-4-ylbutan-2-ol (CID 102623110) is 1-(2-chloro-5-fluorophenyl)-4-pyridin-4-ylbutan-2-ol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-4-pyridin-4-ylbutan-2-ol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-4-pyridin-4-ylbutan-2-ol is OC(CCc1ccncc1)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-4-pyridin-4-ylbutan-2-ol?
The InChIKey is CLCYIRAPYISWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c16-15-4-2-13(17)9-12(15)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-(2-chloro-5-fluorophenyl)-4-pyridin-4-ylbutan-2-ol?
1-(2-chloro-5-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-(2-chloro-5-fluorophenyl)-4-pyridin-4-ylbutan-2-ol is sourced from PubChem (CID 102623110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).