1-(2-chloro-4-fluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol

C16H17ClFNO — CID 79745107

IUPAC1-(2-chloro-4-fluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
SMILESCCc1ccc(CC(O)Cc2ccc(F)cc2Cl)nc1
InChIInChI=1S/C16H17ClFNO/c1-2-11-3-6-14(19-10-11)9-15(20)7-12-4-5-13(18)8-16(12)17/h3-6,8,10,15,20H,2,7,9H2,1H3
InChIKeyHCFZFJKGAGIMBO-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.58
Rot. Bonds5

About 1-(2-chloro-4-fluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol

1-(2-chloro-4-fluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol (PubChem CID 79745107) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
PubChem CID79745107
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
SMILESCCc1ccc(CC(O)Cc2ccc(F)cc2Cl)nc1
InChIInChI=1S/C16H17ClFNO/c1-2-11-3-6-14(19-10-11)9-15(20)7-12-4-5-13(18)8-16(12)17/h3-6,8,10,15,20H,2,7,9H2,1H3
InChIKeyHCFZFJKGAGIMBO-UHFFFAOYSA-N
XLogP3.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79745103
1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 115822218
[1-(2-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105215317
(2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 94505356
1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 62607073
1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol
CID 107884225
2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol
CID 83129957
1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol
CID 62608464
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-ol
CID 79740538
1-(2-chloro-4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62800032
1-(5-chloro-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 114853153
1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol
CID 79746123

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol (CID 79745107) is 1-(2-chloro-4-fluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol is CCc1ccc(CC(O)Cc2ccc(F)cc2Cl)nc1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol?
The InChIKey is HCFZFJKGAGIMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-2-11-3-6-14(19-10-11)9-15(20)7-12-4-5-13(18)8-16(12)17/h3-6,8,10,15,20H,2,7,9H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol?
1-(2-chloro-4-fluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol has a molecular weight of 293.77 g/mol, XLogP of 3.58, 5 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-(5-ethyl-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 79745107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).