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

C14H13ClFNO — CID 114012571

IUPAC2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol
SMILESCc1ccncc1C(O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H13ClFNO/c1-9-4-5-17-8-11(9)14(18)7-10-2-3-12(15)13(16)6-10/h2-6,8,14,18H,7H2,1H3
InChIKeyRMDXFRHBLRRKLX-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.46
Rot. Bonds3

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

2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol (PubChem CID 114012571) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol
PubChem CID114012571
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol
SMILESCc1ccncc1C(O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H13ClFNO/c1-9-4-5-17-8-11(9)14(18)7-10-2-3-12(15)13(16)6-10/h2-6,8,14,18H,7H2,1H3
InChIKeyRMDXFRHBLRRKLX-UHFFFAOYSA-N
XLogP3.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 107884336
2-(4-chloro-3-fluorophenyl)-1-(2-methylphenyl)ethanol
CID 114012545
2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 82919760
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 107883556
2-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)ethanol
CID 66271614
1-(4-methyl-3-pyridinyl)-2-pyridin-4-ylethanol
CID 66273541
2-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 107883521
2-(4-chloro-3-fluorophenyl)-1-pyrimidin-4-ylethanol
CID 107883575
2-(4-chloro-3-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 107883504
1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 105088030
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607682
1-(4-methyl-3-pyridinyl)-2-phenylethanol
CID 66273306

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol (CID 114012571) is 2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol is Cc1ccncc1C(O)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol?
The InChIKey is RMDXFRHBLRRKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-9-4-5-17-8-11(9)14(18)7-10-2-3-12(15)13(16)6-10/h2-6,8,14,18H,7H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol?
2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol has a molecular weight of 265.72 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 114012571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).