[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methanol

C9H9FN4O — CID 67499388

IUPAC[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methanol
SMILESCn1nnc(-c2ccc(F)cn2)c1CO
InChIInChI=1S/C9H9FN4O/c1-14-8(5-15)9(12-13-14)7-3-2-6(10)4-11-7/h2-4,15H,5H2,1H3
InChIKeyPMQDRNCHAPQNPB-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.51
Rot. Bonds2

About [5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methanol

[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methanol (PubChem CID 67499388) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is [5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methanol
PubChem CID67499388
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methanol
SMILESCn1nnc(-c2ccc(F)cn2)c1CO
InChIInChI=1S/C9H9FN4O/c1-14-8(5-15)9(12-13-14)7-3-2-6(10)4-11-7/h2-4,15H,5H2,1H3
InChIKeyPMQDRNCHAPQNPB-UHFFFAOYSA-N
XLogP0.51
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methanol?
The IUPAC name of [5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methanol (CID 67499388) is [5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methanol.
What is the SMILES notation for [5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methanol?
The canonical SMILES for [5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methanol is Cn1nnc(-c2ccc(F)cn2)c1CO.
What is the InChIKey of [5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methanol?
The InChIKey is PMQDRNCHAPQNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c1-14-8(5-15)9(12-13-14)7-3-2-6(10)4-11-7/h2-4,15H,5H2,1H3.
What are the key properties of [5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methanol?
[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methanol has a molecular weight of 208.20 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methanol is sourced from PubChem (CID 67499388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).