6-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2,6-diamine

C12H9ClF3N3 — CID 116700995

IUPAC6-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2,6-diamine
SMILESNc1cccc(Nc2cc(Cl)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H9ClF3N3/c13-8-4-7(12(14,15)16)5-9(6-8)18-11-3-1-2-10(17)19-11/h1-6H,(H3,17,18,19)
InChIKeyNQHHYJQRPPQJQX-UHFFFAOYSA-N
MW287.67 g/mol
LogP4.08
Rot. Bonds2

About 6-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2,6-diamine

6-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2,6-diamine (PubChem CID 116700995) has the molecular formula C12H9ClF3N3 and a molecular weight of 287.67 g/mol. Its IUPAC name is 6-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2,6-diamine
PubChem CID116700995
Molecular FormulaC12H9ClF3N3
Molecular Weight287.67 g/mol
Exact Mass287.04
IUPAC Name6-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2,6-diamine
SMILESNc1cccc(Nc2cc(Cl)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H9ClF3N3/c13-8-4-7(12(14,15)16)5-9(6-8)18-11-3-1-2-10(17)19-11/h1-6H,(H3,17,18,19)
InChIKeyNQHHYJQRPPQJQX-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

6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 107371102
4-N-[3-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 116701008
3-chloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 116698695
2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidin-4-amine
CID 116700654
4-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 116701005
4,5-dichloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 116698705
6-N-(4-chloro-2-fluorophenyl)pyridine-2,6-diamine
CID 80653049
6-N-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717101
6-N-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717889
N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 107371209
6-N-(4-bromo-3,5-dimethylphenyl)pyridine-2,6-diamine
CID 107580588
6-chloro-N-(3-chloro-5-fluorophenyl)pyridin-2-amine
CID 107368827

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2,6-diamine (CID 116700995) is 6-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2,6-diamine is Nc1cccc(Nc2cc(Cl)cc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2,6-diamine?
The InChIKey is NQHHYJQRPPQJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3/c13-8-4-7(12(14,15)16)5-9(6-8)18-11-3-1-2-10(17)19-11/h1-6H,(H3,17,18,19).
What are the key properties of 6-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2,6-diamine?
6-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2,6-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 6-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2,6-diamine is sourced from PubChem (CID 116700995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).