4-(trifluoromethyl)-3H-pyridin-4-amine

C6H7F3N2 — CID 174942082

IUPAC4-(trifluoromethyl)-3H-pyridin-4-amine
SMILESNC1(C(F)(F)F)C=CN=CC1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)5(10)1-3-11-4-2-5/h1,3-4H,2,10H2
InChIKeyIYKVTBZDIROUIL-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.23
Rot. Bonds

About 4-(trifluoromethyl)-3H-pyridin-4-amine

4-(trifluoromethyl)-3H-pyridin-4-amine (PubChem CID 174942082) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 4-(trifluoromethyl)-3H-pyridin-4-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-3H-pyridin-4-amine
PubChem CID174942082
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name4-(trifluoromethyl)-3H-pyridin-4-amine
SMILESNC1(C(F)(F)F)C=CN=CC1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)5(10)1-3-11-4-2-5/h1,3-4H,2,10H2
InChIKeyIYKVTBZDIROUIL-UHFFFAOYSA-N
XLogP1.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-4-(trifluoromethyl)-3H-pyridin-3-amine
CID 149954138
4-fluoro-3H-pyridin-4-amine
CID 150883510
4-(2,2,2-trifluoroethyl)-3H-pyridine-3,4-diamine
CID 164913660
4-methyl-3H-pyridin-4-amine
CID 89676489
(4S)-4-methyl-3H-pyridin-4-amine
CID 155323422

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-3H-pyridin-4-amine?
The IUPAC name of 4-(trifluoromethyl)-3H-pyridin-4-amine (CID 174942082) is 4-(trifluoromethyl)-3H-pyridin-4-amine.
What is the SMILES notation for 4-(trifluoromethyl)-3H-pyridin-4-amine?
The canonical SMILES for 4-(trifluoromethyl)-3H-pyridin-4-amine is NC1(C(F)(F)F)C=CN=CC1.
What is the InChIKey of 4-(trifluoromethyl)-3H-pyridin-4-amine?
The InChIKey is IYKVTBZDIROUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c7-6(8,9)5(10)1-3-11-4-2-5/h1,3-4H,2,10H2.
What are the key properties of 4-(trifluoromethyl)-3H-pyridin-4-amine?
4-(trifluoromethyl)-3H-pyridin-4-amine has a molecular weight of 164.13 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-3H-pyridin-4-amine is sourced from PubChem (CID 174942082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).