2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile

C9H6F5N3 — CID 119006914

IUPAC2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(N)c(C(F)(F)F)c1C(F)F
InChIInChI=1S/C9H6F5N3/c10-7(11)5-4(1-2-15)3-17-8(16)6(5)9(12,13)14/h3,7H,1H2,(H2,16,17)
InChIKeyPDUQPQCGADTFID-UHFFFAOYSA-N
MW251.16 g/mol
LogP2.69
Rot. Bonds2

About 2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile

2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 119006914) has the molecular formula C9H6F5N3 and a molecular weight of 251.16 g/mol. Its IUPAC name is 2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID119006914
Molecular FormulaC9H6F5N3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(N)c(C(F)(F)F)c1C(F)F
InChIInChI=1S/C9H6F5N3/c10-7(11)5-4(1-2-15)3-17-8(16)6(5)9(12,13)14/h3,7H,1H2,(H2,16,17)
InChIKeyPDUQPQCGADTFID-UHFFFAOYSA-N
XLogP2.69
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119024402
2-[6-amino-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetonitrile
CID 119001800
2-[5-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133103967
2-[6-amino-5-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
CID 118990572
2-[6-amino-4-(difluoromethyl)-5-nitro-3-pyridinyl]acetonitrile
CID 119022096
2-[4-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118840572
2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 171029480
2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 118808807
2-[4-amino-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118812030
5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile
CID 130077459
2-[5-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130073247
2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119024029

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile (CID 119006914) is 2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile is N#CCc1cnc(N)c(C(F)(F)F)c1C(F)F.
What is the InChIKey of 2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is PDUQPQCGADTFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5N3/c10-7(11)5-4(1-2-15)3-17-8(16)6(5)9(12,13)14/h3,7H,1H2,(H2,16,17).
What are the key properties of 2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile?
2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile has a molecular weight of 251.16 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 119006914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).