2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine

C19H12F6N2 — CID 134624057

IUPAC2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESNc1cc(-c2ccccc2C(F)(F)F)cnc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H12F6N2/c20-18(21,22)14-7-3-1-5-12(14)11-9-16(26)17(27-10-11)13-6-2-4-8-15(13)19(23,24)25/h1-10H,26H2
InChIKeyBMAYIRSZCCAATK-UHFFFAOYSA-N
MW382.31 g/mol
LogP6.04
Rot. Bonds2

About 2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine

2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine (PubChem CID 134624057) has the molecular formula C19H12F6N2 and a molecular weight of 382.31 g/mol. Its IUPAC name is 2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine.

Molecular Properties

Compound Name2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine
PubChem CID134624057
Molecular FormulaC19H12F6N2
Molecular Weight382.31 g/mol
Exact Mass382.09
IUPAC Name2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESNc1cc(-c2ccccc2C(F)(F)F)cnc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H12F6N2/c20-18(21,22)14-7-3-1-5-12(14)11-9-16(26)17(27-10-11)13-6-2-4-8-15(13)19(23,24)25/h1-10H,26H2
InChIKeyBMAYIRSZCCAATK-UHFFFAOYSA-N
XLogP6.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.31
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 50994110
2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine
CID 145031967
2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine
CID 118815216
2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]aniline
CID 134624128
[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
CID 134629150
3,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridine
CID 134623597
[5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine
CID 131866305
3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 134623343
2-[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 134629149
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133092047
2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 118998520
2-[3,5-bis[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134623346

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine?
The IUPAC name of 2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine (CID 134624057) is 2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine.
What is the SMILES notation for 2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine?
The canonical SMILES for 2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine is Nc1cc(-c2ccccc2C(F)(F)F)cnc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine?
The InChIKey is BMAYIRSZCCAATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N2/c20-18(21,22)14-7-3-1-5-12(14)11-9-16(26)17(27-10-11)13-6-2-4-8-15(13)19(23,24)25/h1-10H,26H2.
What are the key properties of 2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine?
2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine has a molecular weight of 382.31 g/mol, XLogP of 6.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine is sourced from PubChem (CID 134624057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).