2-[(4-methyl-3-pyridinyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C13H9F3N4 — CID 79868944

IUPAC2-[(4-methyl-3-pyridinyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1ccncc1Nc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H9F3N4/c1-8-4-5-18-7-10(8)19-12-9(6-17)2-3-11(20-12)13(14,15)16/h2-5,7H,1H3,(H,19,20)
InChIKeyBALGUSRBIWKHNU-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.42
Rot. Bonds2

About 2-[(4-methyl-3-pyridinyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[(4-methyl-3-pyridinyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79868944) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 2-[(4-methyl-3-pyridinyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-methyl-3-pyridinyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79868944
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name2-[(4-methyl-3-pyridinyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1ccncc1Nc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H9F3N4/c1-8-4-5-18-7-10(8)19-12-9(6-17)2-3-11(20-12)13(14,15)16/h2-5,7H,1H3,(H,19,20)
InChIKeyBALGUSRBIWKHNU-UHFFFAOYSA-N
XLogP3.42
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-3-pyridinyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[(4-methyl-3-pyridinyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79868944) is 2-[(4-methyl-3-pyridinyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-methyl-3-pyridinyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-methyl-3-pyridinyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is Cc1ccncc1Nc1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-[(4-methyl-3-pyridinyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is BALGUSRBIWKHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c1-8-4-5-18-7-10(8)19-12-9(6-17)2-3-11(20-12)13(14,15)16/h2-5,7H,1H3,(H,19,20).
What are the key properties of 2-[(4-methyl-3-pyridinyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[(4-methyl-3-pyridinyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 278.24 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-3-pyridinyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79868944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).