3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile

C9H6F5N3 — CID 133107332

IUPAC3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)F)c(C(F)(F)F)c1CN
InChIInChI=1S/C9H6F5N3/c10-8(11)5-3-17-6(2-16)4(1-15)7(5)9(12,13)14/h3,8H,1,15H2
InChIKeyNPAXSPVFIFRWTP-UHFFFAOYSA-N
MW251.16 g/mol
LogP2.37
Rot. Bonds2

About 3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile

3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 133107332) has the molecular formula C9H6F5N3 and a molecular weight of 251.16 g/mol. Its IUPAC name is 3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID133107332
Molecular FormulaC9H6F5N3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)F)c(C(F)(F)F)c1CN
InChIInChI=1S/C9H6F5N3/c10-8(11)5-3-17-6(2-16)4(1-15)7(5)9(12,13)14/h3,8H,1,15H2
InChIKeyNPAXSPVFIFRWTP-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile 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

5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 130077417
3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130071095
5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130103400
5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 130103522
[3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118831112
2-[6-cyano-5-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 133106191
4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133084536
5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile
CID 118991428
4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118829842
3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 119004811
3-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130078189
3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 119017060

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile (CID 133107332) is 3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1ncc(C(F)F)c(C(F)(F)F)c1CN.
What is the InChIKey of 3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is NPAXSPVFIFRWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5N3/c10-8(11)5-3-17-6(2-16)4(1-15)7(5)9(12,13)14/h3,8H,1,15H2.
What are the key properties of 3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile?
3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 251.16 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 133107332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).