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

C13H13FN2O — CID 82730372

IUPAC(3-ethyl-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanol
SMILESCCc1cccnc1C(O)c1cncc(F)c1
InChIInChI=1S/C13H13FN2O/c1-2-9-4-3-5-16-12(9)13(17)10-6-11(14)8-15-7-10/h3-8,13,17H,2H2,1H3
InChIKeyXCSLQSXJLQWSBG-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.26
Rot. Bonds3

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

(3-ethyl-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanol (PubChem CID 82730372) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is (3-ethyl-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanol.

Molecular Properties

Compound Name(3-ethyl-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanol
PubChem CID82730372
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name(3-ethyl-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanol
SMILESCCc1cccnc1C(O)c1cncc(F)c1
InChIInChI=1S/C13H13FN2O/c1-2-9-4-3-5-16-12(9)13(17)10-6-11(14)8-15-7-10/h3-8,13,17H,2H2,1H3
InChIKeyXCSLQSXJLQWSBG-UHFFFAOYSA-N
XLogP2.26
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-2-pyridinyl)-(3-fluoro-5-methylphenyl)methanol
CID 82729829
(3-ethyl-2-pyridinyl)-(5-methoxy-3-pyridinyl)methanol
CID 82729580
N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]ethanamine
CID 82731223
(5-fluoro-3-pyridinyl)-(furan-2-yl)methanol
CID 62716120
N-[(3-chloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 103444765
[(3-ethyl-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105263764
(3,5-dimethoxypyrazin-2-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105123520
(5-fluoro-3-pyridinyl)-(5-methylfuran-2-yl)methanol
CID 63894041
N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 82741174
(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol
CID 103443421
(2-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanol
CID 82731006
[(5-fluoro-3-pyridinyl)-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209320

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanol?
The IUPAC name of (3-ethyl-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanol (CID 82730372) is (3-ethyl-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanol.
What is the SMILES notation for (3-ethyl-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanol?
The canonical SMILES for (3-ethyl-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanol is CCc1cccnc1C(O)c1cncc(F)c1.
What is the InChIKey of (3-ethyl-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanol?
The InChIKey is XCSLQSXJLQWSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-2-9-4-3-5-16-12(9)13(17)10-6-11(14)8-15-7-10/h3-8,13,17H,2H2,1H3.
What are the key properties of (3-ethyl-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanol?
(3-ethyl-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanol has a molecular weight of 232.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanol is sourced from PubChem (CID 82730372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).