(5-fluoro-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

C9H9FN4O — CID 105128799

IUPAC(5-fluoro-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1cncc(F)c1
InChIInChI=1S/C9H9FN4O/c1-14-8(5-12-13-14)9(15)6-2-7(10)4-11-3-6/h2-5,9,15H,1H3
InChIKeyZOADAOSGSAJNTR-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.43
Rot. Bonds2

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

(5-fluoro-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 105128799) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
PubChem CID105128799
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name(5-fluoro-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1cncc(F)c1
InChIInChI=1S/C9H9FN4O/c1-14-8(5-12-13-14)9(15)6-2-7(10)4-11-3-6/h2-5,9,15H,1H3
InChIKeyZOADAOSGSAJNTR-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2F-Viminol
CID 57419227
[4-(1-Pyridin-3-yltriazol-4-yl)phenyl]methanol
CID 162659396
2-(1-(1-Methylethyl)-1H-pyrazol-5-yl)-3-pyridinemethanol
CID 89654758
2-Phenyl-2-(4-pyridin-2-yltriazol-1-yl)ethanol
CID 56649158
{1-[2-(pyridin-2-yl)ethyl]-1H-1,2,3-triazol-4-yl}methanol
CID 49781101
(1R)-1-pyridin-3-yl-2-[4-[(2,6,6-trimethylcyclohexen-1-yl)methyl]triazol-1-yl]ethanol
CID 95187927
{5-fluoro-4-[1-(3-methylbutyl)-1H-pyrazol-4-yl]pyridin-2-yl}methanol
CID 121511381
(R)-(1,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanol
CID 125180983
{1-[(2-Fluorophenyl)methyl]-1H-pyrrol-2-yl}methanol
CID 13530065
[1-(2-Fluorobenzyl)-2-pyrryl]-[(1-methyl)piperidin-4-yl]methanol
CID 13689353
4-[1-[(2-Fluorophenyl)methyl]pyrrol-2-yl]-1-methylpiperidin-4-ol
CID 14391476
1-Butyl-4-[1-(2-fluorobenzyl)pyrrol-2-yl]-4-piperidinol
CID 14391478

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (5-fluoro-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (CID 105128799) is (5-fluoro-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (5-fluoro-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is Cn1nncc1C(O)c1cncc(F)c1.
What is the InChIKey of (5-fluoro-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is ZOADAOSGSAJNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c1-14-8(5-12-13-14)9(15)6-2-7(10)4-11-3-6/h2-5,9,15H,1H3.
What are the key properties of (5-fluoro-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?
(5-fluoro-3-pyridinyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 208.20 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 105128799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).