3-fluoro-5-(4-methyltriazol-2-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyridine

C16H12F4N4O — CID 166551867

IUPAC3-fluoro-5-(4-methyltriazol-2-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyridine
SMILESCc1cnn(-c2cncc(F)c2Cc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C16H12F4N4O/c1-10-7-22-24(23-10)15-9-21-8-14(17)13(15)6-11-2-4-12(5-3-11)25-16(18,19)20/h2-5,7-9H,6H2,1H3
InChIKeyZFUIVSXOOQDNFO-UHFFFAOYSA-N
MW352.29 g/mol
LogP3.60
Rot. Bonds4

About 3-fluoro-5-(4-methyltriazol-2-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyridine

3-fluoro-5-(4-methyltriazol-2-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyridine (PubChem CID 166551867) has the molecular formula C16H12F4N4O and a molecular weight of 352.29 g/mol. Its IUPAC name is 3-fluoro-5-(4-methyltriazol-2-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyridine.

Molecular Properties

Compound Name3-fluoro-5-(4-methyltriazol-2-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyridine
PubChem CID166551867
Molecular FormulaC16H12F4N4O
Molecular Weight352.29 g/mol
Exact Mass352.09
IUPAC Name3-fluoro-5-(4-methyltriazol-2-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyridine
SMILESCc1cnn(-c2cncc(F)c2Cc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C16H12F4N4O/c1-10-7-22-24(23-10)15-9-21-8-14(17)13(15)6-11-2-4-12(5-3-11)25-16(18,19)20/h2-5,7-9H,6H2,1H3
InChIKeyZFUIVSXOOQDNFO-UHFFFAOYSA-N
XLogP3.60
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-[methoxy-[4-(trifluoromethoxy)phenyl]methyl]-5-(triazol-2-yl)pyridine
CID 156817565
3,5-difluoro-4-[4-(trifluoromethoxy)phenoxy]pyridine
CID 90008186
6-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 52898635
fluoro-[[4-(trifluoromethoxy)phenyl]methyl]azanide
CID 154106189
2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine
CID 68630973
6-chloro-7-fluoro-1-hydroxy-2-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-4-one
CID 171484548
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
2-methyl-3-(3-methylpyrazol-1-yl)-6-[[2-[2-methyl-4-(trifluoromethoxy)phenyl]triazol-4-yl]methyl]pyridine
CID 123350007
2-[6-fluoro-3-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]naphthalen-2-yl]acetic acid
CID 46205855
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60707327
(2R)-2-(1,2,4-triazol-1-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide
CID 94029323

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(4-methyltriazol-2-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyridine?
The IUPAC name of 3-fluoro-5-(4-methyltriazol-2-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyridine (CID 166551867) is 3-fluoro-5-(4-methyltriazol-2-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyridine.
What is the SMILES notation for 3-fluoro-5-(4-methyltriazol-2-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyridine?
The canonical SMILES for 3-fluoro-5-(4-methyltriazol-2-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyridine is Cc1cnn(-c2cncc(F)c2Cc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 3-fluoro-5-(4-methyltriazol-2-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyridine?
The InChIKey is ZFUIVSXOOQDNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4O/c1-10-7-22-24(23-10)15-9-21-8-14(17)13(15)6-11-2-4-12(5-3-11)25-16(18,19)20/h2-5,7-9H,6H2,1H3.
What are the key properties of 3-fluoro-5-(4-methyltriazol-2-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyridine?
3-fluoro-5-(4-methyltriazol-2-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyridine has a molecular weight of 352.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(4-methyltriazol-2-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyridine is sourced from PubChem (CID 166551867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).