5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine

C12H9ClF3N3 — CID 104532239

IUPAC5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine
SMILESNc1cncc(Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C12H9ClF3N3/c13-7-1-2-11(10(3-7)12(14,15)16)19-9-4-8(17)5-18-6-9/h1-6,19H,17H2
InChIKeyLGNZQTNHSHOQFH-UHFFFAOYSA-N
MW287.67 g/mol
LogP4.08
Rot. Bonds2

About 5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine

5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine (PubChem CID 104532239) has the molecular formula C12H9ClF3N3 and a molecular weight of 287.67 g/mol. Its IUPAC name is 5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine
PubChem CID104532239
Molecular FormulaC12H9ClF3N3
Molecular Weight287.67 g/mol
Exact Mass287.04
IUPAC Name5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine
SMILESNc1cncc(Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C12H9ClF3N3/c13-7-1-2-11(10(3-7)12(14,15)16)19-9-4-8(17)5-18-6-9/h1-6,19H,17H2
InChIKeyLGNZQTNHSHOQFH-UHFFFAOYSA-N
XLogP4.08
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine
CID 103517614
4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 79916848
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-difluorobenzene-1,4-diamine
CID 63402036
5-N-(2,4-difluorophenyl)pyridine-3,5-diamine
CID 104532376
3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzene-1,3-diamine
CID 63401990
4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80911630
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223532
5-N-(2-chlorothiophen-3-yl)pyridine-3,5-diamine
CID 130834562
1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 63403125
3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbenzene-1,3-diamine
CID 67733046
2-chloro-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylbenzene-1,4-diamine
CID 115554494
5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine
CID 80911957

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine?
The IUPAC name of 5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine (CID 104532239) is 5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine.
What is the SMILES notation for 5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine?
The canonical SMILES for 5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine is Nc1cncc(Nc2ccc(Cl)cc2C(F)(F)F)c1.
What is the InChIKey of 5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine?
The InChIKey is LGNZQTNHSHOQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3/c13-7-1-2-11(10(3-7)12(14,15)16)19-9-4-8(17)5-18-6-9/h1-6,19H,17H2.
What are the key properties of 5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine?
5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine has a molecular weight of 287.67 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine is sourced from PubChem (CID 104532239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).