(3-ethyl-2-pyridinyl)-(3-fluoro-5-methylphenyl)methanol

C15H16FNO — CID 82729829

IUPAC(3-ethyl-2-pyridinyl)-(3-fluoro-5-methylphenyl)methanol
SMILESCCc1cccnc1C(O)c1cc(C)cc(F)c1
InChIInChI=1S/C15H16FNO/c1-3-11-5-4-6-17-14(11)15(18)12-7-10(2)8-13(16)9-12/h4-9,15,18H,3H2,1-2H3
InChIKeyAFAJOLCSHJNHEM-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.17
Rot. Bonds3

About (3-ethyl-2-pyridinyl)-(3-fluoro-5-methylphenyl)methanol

(3-ethyl-2-pyridinyl)-(3-fluoro-5-methylphenyl)methanol (PubChem CID 82729829) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is (3-ethyl-2-pyridinyl)-(3-fluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(3-ethyl-2-pyridinyl)-(3-fluoro-5-methylphenyl)methanol
PubChem CID82729829
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name(3-ethyl-2-pyridinyl)-(3-fluoro-5-methylphenyl)methanol
SMILESCCc1cccnc1C(O)c1cc(C)cc(F)c1
InChIInChI=1S/C15H16FNO/c1-3-11-5-4-6-17-14(11)15(18)12-7-10(2)8-13(16)9-12/h4-9,15,18H,3H2,1-2H3
InChIKeyAFAJOLCSHJNHEM-UHFFFAOYSA-N
XLogP3.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethyl-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanol
CID 82730372
(3-ethyl-2-pyridinyl)-(5-methoxy-3-pyridinyl)methanol
CID 82729580
N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]ethanamine
CID 82731223
(3-ethyl-2-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114727223
N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 82741174
(2-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanol
CID 82731006
(3,5-dimethylphenyl)-isoquinolin-1-ylmethanol
CID 63948839
2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 114855034
(2-ethyl-1,2,4-triazol-3-yl)-(3-fluoro-5-methylphenyl)methanol
CID 112743955
[(3-fluoro-5-methylphenyl)-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209392
(3-ethyl-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114730701
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 82730481

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-pyridinyl)-(3-fluoro-5-methylphenyl)methanol?
The IUPAC name of (3-ethyl-2-pyridinyl)-(3-fluoro-5-methylphenyl)methanol (CID 82729829) is (3-ethyl-2-pyridinyl)-(3-fluoro-5-methylphenyl)methanol.
What is the SMILES notation for (3-ethyl-2-pyridinyl)-(3-fluoro-5-methylphenyl)methanol?
The canonical SMILES for (3-ethyl-2-pyridinyl)-(3-fluoro-5-methylphenyl)methanol is CCc1cccnc1C(O)c1cc(C)cc(F)c1.
What is the InChIKey of (3-ethyl-2-pyridinyl)-(3-fluoro-5-methylphenyl)methanol?
The InChIKey is AFAJOLCSHJNHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-3-11-5-4-6-17-14(11)15(18)12-7-10(2)8-13(16)9-12/h4-9,15,18H,3H2,1-2H3.
What are the key properties of (3-ethyl-2-pyridinyl)-(3-fluoro-5-methylphenyl)methanol?
(3-ethyl-2-pyridinyl)-(3-fluoro-5-methylphenyl)methanol has a molecular weight of 245.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-pyridinyl)-(3-fluoro-5-methylphenyl)methanol is sourced from PubChem (CID 82729829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).