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

C14H13ClFNO — CID 81461099

IUPAC1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
SMILESCc1cccnc1CC(O)c1cccc(F)c1Cl
InChIInChI=1S/C14H13ClFNO/c1-9-4-3-7-17-12(9)8-13(18)10-5-2-6-11(16)14(10)15/h2-7,13,18H,8H2,1H3
InChIKeyOXMVQBXXEDCEKI-UHFFFAOYSA-N
MW265.71 g/mol
LogP3.46
Rot. Bonds3

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

1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol (PubChem CID 81461099) has the molecular formula C14H13ClFNO and a molecular weight of 265.71 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
PubChem CID81461099
Molecular FormulaC14H13ClFNO
Molecular Weight265.71 g/mol
Exact Mass265.07
IUPAC Name1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
SMILESCc1cccnc1CC(O)c1cccc(F)c1Cl
InChIInChI=1S/C14H13ClFNO/c1-9-4-3-7-17-12(9)8-13(18)10-5-2-6-11(16)14(10)15/h2-7,13,18H,8H2,1H3
InChIKeyOXMVQBXXEDCEKI-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 ≤ 500265.71
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114020683
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 81454498
1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114561348
1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448228
1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461704
1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114020682
1-(2-chloro-3-fluorophenyl)-2-quinolin-4-ylethanol
CID 115812471
1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol
CID 115815135
1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 83700875
1-(2-chloro-3-fluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894454
2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine
CID 66459993
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115786915

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol (CID 81461099) is 1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol is Cc1cccnc1CC(O)c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol?
The InChIKey is OXMVQBXXEDCEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-9-4-3-7-17-12(9)8-13(18)10-5-2-6-11(16)14(10)15/h2-7,13,18H,8H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol?
1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol has a molecular weight of 265.71 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 1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 81461099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).