3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile

C11H7F3N4 — CID 55127893

IUPAC3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H7F3N4/c12-11(13,14)10-3-5-18(17-10)7-8-2-1-4-16-9(8)6-15/h1-5H,7H2
InChIKeyVLGKNIVXSCWMKR-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.22
Rot. Bonds2

About 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile

3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile (PubChem CID 55127893) has the molecular formula C11H7F3N4 and a molecular weight of 252.20 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile
PubChem CID55127893
Molecular FormulaC11H7F3N4
Molecular Weight252.20 g/mol
Exact Mass252.06
IUPAC Name3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H7F3N4/c12-11(13,14)10-3-5-18(17-10)7-8-2-1-4-16-9(8)6-15/h1-5H,7H2
InChIKeyVLGKNIVXSCWMKR-UHFFFAOYSA-N
XLogP2.22
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile (CID 55127893) is 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile is N#Cc1ncccc1Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is VLGKNIVXSCWMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4/c12-11(13,14)10-3-5-18(17-10)7-8-2-1-4-16-9(8)6-15/h1-5H,7H2.
What are the key properties of 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile?
3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 252.20 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 55127893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).