2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C12H12F3N3 — CID 113236782

IUPAC2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1CC1CNc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C12H12F3N3/c1-7-4-9(7)6-17-11-8(5-16)2-3-10(18-11)12(13,14)15/h2-3,7,9H,4,6H2,1H3,(H,17,18)
InChIKeyVKQSFCVYBQYUSH-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.04
Rot. Bonds3

About 2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 113236782) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID113236782
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1CC1CNc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C12H12F3N3/c1-7-4-9(7)6-17-11-8(5-16)2-3-10(18-11)12(13,14)15/h2-3,7,9H,4,6H2,1H3,(H,17,18)
InChIKeyVKQSFCVYBQYUSH-UHFFFAOYSA-N
XLogP3.04
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 113236782) is 2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile is CC1CC1CNc1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is VKQSFCVYBQYUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-7-4-9(7)6-17-11-8(5-16)2-3-10(18-11)12(13,14)15/h2-3,7,9H,4,6H2,1H3,(H,17,18).
What are the key properties of 2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 255.24 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 113236782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).