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

C12H7F3N4 — CID 118094673

IUPAC3-amino-2-[2-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cccnc2C(F)(F)F)c1N
InChIInChI=1S/C12H7F3N4/c13-12(14,15)11-8(2-1-4-19-11)10-9(17)7(6-16)3-5-18-10/h1-5H,17H2
InChIKeyIPSOGVILVBSQHX-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.62
Rot. Bonds1

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

3-amino-2-[2-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbonitrile (PubChem CID 118094673) has the molecular formula C12H7F3N4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 3-amino-2-[2-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[2-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbonitrile
PubChem CID118094673
Molecular FormulaC12H7F3N4
Molecular Weight264.21 g/mol
Exact Mass264.06
IUPAC Name3-amino-2-[2-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cccnc2C(F)(F)F)c1N
InChIInChI=1S/C12H7F3N4/c13-12(14,15)11-8(2-1-4-19-11)10-9(17)7(6-16)3-5-18-10/h1-5H,17H2
InChIKeyIPSOGVILVBSQHX-UHFFFAOYSA-N
XLogP2.62
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[2-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbonitrile (CID 118094673) is 3-amino-2-[2-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[2-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[2-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbonitrile is N#Cc1ccnc(-c2cccnc2C(F)(F)F)c1N.
What is the InChIKey of 3-amino-2-[2-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbonitrile?
The InChIKey is IPSOGVILVBSQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4/c13-12(14,15)11-8(2-1-4-19-11)10-9(17)7(6-16)3-5-18-10/h1-5H,17H2.
What are the key properties of 3-amino-2-[2-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbonitrile?
3-amino-2-[2-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbonitrile has a molecular weight of 264.21 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbonitrile is sourced from PubChem (CID 118094673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).