2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol

C15H15ClFNO — CID 114855034

IUPAC2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol
SMILESCCc1cccnc1C(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H15ClFNO/c1-2-10-4-3-7-18-15(10)14(19)8-11-5-6-12(16)9-13(11)17/h3-7,9,14,19H,2,8H2,1H3
InChIKeyFZWZUVNTSHXFAQ-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.71
Rot. Bonds4

About 2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol

2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol (PubChem CID 114855034) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol
PubChem CID114855034
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol
SMILESCCc1cccnc1C(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H15ClFNO/c1-2-10-4-3-7-18-15(10)14(19)8-11-5-6-12(16)9-13(11)17/h3-7,9,14,19H,2,8H2,1H3
InChIKeyFZWZUVNTSHXFAQ-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

3-[2-(3-ethyl-2-pyridinyl)-2-hydroxyethyl]phenol
CID 82730497
2-(2-chloro-3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)ethanol
CID 112653523
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 82730481
2-(2,4-difluorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylethanamine
CID 82730771
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
2-(4-tert-butylphenyl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 82732445
2-(4-chloro-2-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol
CID 114852697
2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105132974
1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 82729587
2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 115839731
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105190483
2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105132939

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol (CID 114855034) is 2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol is CCc1cccnc1C(O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol?
The InChIKey is FZWZUVNTSHXFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-2-10-4-3-7-18-15(10)14(19)8-11-5-6-12(16)9-13(11)17/h3-7,9,14,19H,2,8H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol?
2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol 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 2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 114855034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).