N-(2,2,2-trifluoroethyl)pyridin-4-amine

C7H7F3N2 — CID 12702855

IUPACN-(2,2,2-trifluoroethyl)pyridin-4-amine
SMILESFC(F)(F)CNc1ccncc1
InChIInChI=1S/C7H7F3N2/c8-7(9,10)5-12-6-1-3-11-4-2-6/h1-4H,5H2,(H,11,12)
InChIKeyTUKVLFRRTNWHOJ-UHFFFAOYSA-N
MW176.14 g/mol
LogP2.06
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)pyridin-4-amine

N-(2,2,2-trifluoroethyl)pyridin-4-amine (PubChem CID 12702855) has the molecular formula C7H7F3N2 and a molecular weight of 176.14 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)pyridin-4-amine
PubChem CID12702855
Molecular FormulaC7H7F3N2
Molecular Weight176.14 g/mol
Exact Mass176.06
IUPAC NameN-(2,2,2-trifluoroethyl)pyridin-4-amine
SMILESFC(F)(F)CNc1ccncc1
InChIInChI=1S/C7H7F3N2/c8-7(9,10)5-12-6-1-3-11-4-2-6/h1-4H,5H2,(H,11,12)
InChIKeyTUKVLFRRTNWHOJ-UHFFFAOYSA-N
XLogP2.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Aminopyridine
CID 1727
3,4-Diaminopyridine
CID 5918
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
3-Aminopyridine
CID 10009
2-Pyridinemethanamine
CID 19509
4-(Dimethylamino)pyridine
CID 14284
Betahistine Hydrochloride
CID 68643
4-Amino-3-bromopyridine
CID 26095
3-Chloropyridin-4-amine
CID 581853
4-Pyridineethanamine
CID 83275
1-Pyridin-3-yl-1,4-diazepane
CID 10654891

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)pyridin-4-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)pyridin-4-amine (CID 12702855) is N-(2,2,2-trifluoroethyl)pyridin-4-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)pyridin-4-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)pyridin-4-amine is FC(F)(F)CNc1ccncc1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)pyridin-4-amine?
The InChIKey is TUKVLFRRTNWHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2/c8-7(9,10)5-12-6-1-3-11-4-2-6/h1-4H,5H2,(H,11,12).
What are the key properties of N-(2,2,2-trifluoroethyl)pyridin-4-amine?
N-(2,2,2-trifluoroethyl)pyridin-4-amine has a molecular weight of 176.14 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)pyridin-4-amine is sourced from PubChem (CID 12702855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).