3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine

C14H13ClF3N3O — CID 28847110

IUPAC3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESCOc1cc(Cl)c(C)cc1Nc1cc(C(F)(F)F)cnc1N
InChIInChI=1S/C14H13ClF3N3O/c1-7-3-10(12(22-2)5-9(7)15)21-11-4-8(14(16,17)18)6-20-13(11)19/h3-6,21H,1-2H3,(H2,19,20)
InChIKeyQTWZOUFZJMQKJT-UHFFFAOYSA-N
MW331.73 g/mol
LogP4.40
Rot. Bonds3

About 3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine

3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 28847110) has the molecular formula C14H13ClF3N3O and a molecular weight of 331.73 g/mol. Its IUPAC name is 3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine
PubChem CID28847110
Molecular FormulaC14H13ClF3N3O
Molecular Weight331.73 g/mol
Exact Mass331.07
IUPAC Name3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESCOc1cc(Cl)c(C)cc1Nc1cc(C(F)(F)F)cnc1N
InChIInChI=1S/C14H13ClF3N3O/c1-7-3-10(12(22-2)5-9(7)15)21-11-4-8(14(16,17)18)6-20-13(11)19/h3-6,21H,1-2H3,(H2,19,20)
InChIKeyQTWZOUFZJMQKJT-UHFFFAOYSA-N
XLogP4.40
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 79915939
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine
CID 79021315
2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine
CID 28846412
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 43018016
4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine
CID 115468524
2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]-4-chlorophenol
CID 28847177
4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80762859
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075212
ethyl 4-(4-chloro-2-methoxy-5-methylanilino)-7-(trifluoromethyl)quinoline-3-carboxylate
CID 15992869
4-bromo-2-N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 116735392
6-amino-5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 62153748
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142964

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine (CID 28847110) is 3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine is COc1cc(Cl)c(C)cc1Nc1cc(C(F)(F)F)cnc1N.
What is the InChIKey of 3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
The InChIKey is QTWZOUFZJMQKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O/c1-7-3-10(12(22-2)5-9(7)15)21-11-4-8(14(16,17)18)6-20-13(11)19/h3-6,21H,1-2H3,(H2,19,20).
What are the key properties of 3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine has a molecular weight of 331.73 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 28847110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).