6-chloro-3-N-phenyl-4-N-propan-2-yl-2-(trifluoromethyl)pyridine-3,4-diamine

C15H15ClF3N3 — CID 175056743

IUPAC6-chloro-3-N-phenyl-4-N-propan-2-yl-2-(trifluoromethyl)pyridine-3,4-diamine
SMILESCC(C)Nc1cc(Cl)nc(C(F)(F)F)c1Nc1ccccc1
InChIInChI=1S/C15H15ClF3N3/c1-9(2)20-11-8-12(16)22-14(15(17,18)19)13(11)21-10-6-4-3-5-7-10/h3-9,21H,1-2H3,(H,20,22)
InChIKeyQAKGDCQHSQQZEE-UHFFFAOYSA-N
MW329.75 g/mol
LogP5.32
Rot. Bonds4

About 6-chloro-3-N-phenyl-4-N-propan-2-yl-2-(trifluoromethyl)pyridine-3,4-diamine

6-chloro-3-N-phenyl-4-N-propan-2-yl-2-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 175056743) has the molecular formula C15H15ClF3N3 and a molecular weight of 329.75 g/mol. Its IUPAC name is 6-chloro-3-N-phenyl-4-N-propan-2-yl-2-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name6-chloro-3-N-phenyl-4-N-propan-2-yl-2-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID175056743
Molecular FormulaC15H15ClF3N3
Molecular Weight329.75 g/mol
Exact Mass329.09
IUPAC Name6-chloro-3-N-phenyl-4-N-propan-2-yl-2-(trifluoromethyl)pyridine-3,4-diamine
SMILESCC(C)Nc1cc(Cl)nc(C(F)(F)F)c1Nc1ccccc1
InChIInChI=1S/C15H15ClF3N3/c1-9(2)20-11-8-12(16)22-14(15(17,18)19)13(11)21-10-6-4-3-5-7-10/h3-9,21H,1-2H3,(H,20,22)
InChIKeyQAKGDCQHSQQZEE-UHFFFAOYSA-N
XLogP5.32
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.75
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(3-(6-methylpyridin-2-yl)prop-2-ynyl)benzenamine
CID 11345889
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CID 44415964
2-N-(3-chloro-2,5,6-trifluoropyridin-4-yl)benzene-1,2-diamine
CID 949932
2-Chloro-6-(trifluoromethyl)pyridin-3-amine
CID 2737646
2-chloro-N,6-dimethylpyridin-3-amine
CID 89931897
7-chloro-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepine-2-thione
CID 3002113
7-chloro-N-methyl-4-phenyl-3,5-dihydropyrido[3,2-e][1,4]diazepin-2-amine
CID 135457989
Benzyl-(2-chloro-3-nitro-6-trifluoromethyl-pyridin-4-yl)-amine
CID 86614472
1-(6-Chloropyridin-2-yl)ethan-1-amine hydrochloride
CID 138109548
4-chloro-N-(1-(pyridin-2-yl)ethyl)aniline
CID 43194293
2,6-dichloro-N3-((trans-4-methylcyclohexyl)methyl)pyridine-3,4-diamine
CID 86724469
6-chloro-N4-isopropylpyridine-3,4-diamine
CID 90176693

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-N-phenyl-4-N-propan-2-yl-2-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 6-chloro-3-N-phenyl-4-N-propan-2-yl-2-(trifluoromethyl)pyridine-3,4-diamine (CID 175056743) is 6-chloro-3-N-phenyl-4-N-propan-2-yl-2-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 6-chloro-3-N-phenyl-4-N-propan-2-yl-2-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 6-chloro-3-N-phenyl-4-N-propan-2-yl-2-(trifluoromethyl)pyridine-3,4-diamine is CC(C)Nc1cc(Cl)nc(C(F)(F)F)c1Nc1ccccc1.
What is the InChIKey of 6-chloro-3-N-phenyl-4-N-propan-2-yl-2-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is QAKGDCQHSQQZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3/c1-9(2)20-11-8-12(16)22-14(15(17,18)19)13(11)21-10-6-4-3-5-7-10/h3-9,21H,1-2H3,(H,20,22).
What are the key properties of 6-chloro-3-N-phenyl-4-N-propan-2-yl-2-(trifluoromethyl)pyridine-3,4-diamine?
6-chloro-3-N-phenyl-4-N-propan-2-yl-2-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 329.75 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-N-phenyl-4-N-propan-2-yl-2-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 175056743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).