4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile

C7H4F3N3 — CID 118844697

IUPAC4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N)c(C(F)(F)F)cn1
InChIInChI=1S/C7H4F3N3/c8-7(9,10)5-3-13-4(2-11)1-6(5)12/h1,3H,(H2,12,13)
InChIKeyCJRZIPQEVWWMRC-UHFFFAOYSA-N
MW187.12 g/mol
LogP1.55
Rot. Bonds

About 4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile

4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 118844697) has the molecular formula C7H4F3N3 and a molecular weight of 187.12 g/mol. Its IUPAC name is 4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID118844697
Molecular FormulaC7H4F3N3
Molecular Weight187.12 g/mol
Exact Mass187.04
IUPAC Name4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N)c(C(F)(F)F)cn1
InChIInChI=1S/C7H4F3N3/c8-7(9,10)5-3-13-4(2-11)1-6(5)12/h1,3H,(H2,12,13)
InChIKeyCJRZIPQEVWWMRC-UHFFFAOYSA-N
XLogP1.55
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130094598
[6-cyano-4-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 91882838
5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 166912974
5-amino-4-bromopyridine-2-carbonitrile
CID 130641471
4-amino-5-ethylpyridine-2-carbonitrile
CID 126485327
methyl 2-[6-cyano-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097360
5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 25184445
3-amino-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile
CID 121232183
5-[3-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 25184446
ethane;2-methyl-5-(trifluoromethyl)pyridine-4-carbonitrile
CID 142280419
5-(difluoromethyl)-4-fluoropyridine-2-carbonitrile
CID 119007816
3-amino-4-(trifluoromethyl)benzonitrile;3-isothiocyanato-4-(trifluoromethyl)benzonitrile
CID 158546084

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile (CID 118844697) is 4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1cc(N)c(C(F)(F)F)cn1.
What is the InChIKey of 4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is CJRZIPQEVWWMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3/c8-7(9,10)5-3-13-4(2-11)1-6(5)12/h1,3H,(H2,12,13).
What are the key properties of 4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile?
4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 187.12 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 118844697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).