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

C13H11ClF3N3O — CID 43261475

IUPAC2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methoxypyridine-2,5-diamine
SMILESCOc1nc(Nc2cc(C(F)(F)F)ccc2Cl)ccc1N
InChIInChI=1S/C13H11ClF3N3O/c1-21-12-9(18)4-5-11(20-12)19-10-6-7(13(15,16)17)2-3-8(10)14/h2-6H,18H2,1H3,(H,19,20)
InChIKeyFCMXDBDTRAKXPX-UHFFFAOYSA-N
MW317.70 g/mol
LogP4.09
Rot. Bonds3

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

2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methoxypyridine-2,5-diamine (PubChem CID 43261475) has the molecular formula C13H11ClF3N3O and a molecular weight of 317.70 g/mol. Its IUPAC name is 2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methoxypyridine-2,5-diamine
PubChem CID43261475
Molecular FormulaC13H11ClF3N3O
Molecular Weight317.70 g/mol
Exact Mass317.05
IUPAC Name2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methoxypyridine-2,5-diamine
SMILESCOc1nc(Nc2cc(C(F)(F)F)ccc2Cl)ccc1N
InChIInChI=1S/C13H11ClF3N3O/c1-21-12-9(18)4-5-11(20-12)19-10-6-7(13(15,16)17)2-3-8(10)14/h2-6H,18H2,1H3,(H,19,20)
InChIKeyFCMXDBDTRAKXPX-UHFFFAOYSA-N
XLogP4.09
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methoxypyridine-2,5-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

2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine
CID 54954761
2-N-(3,5-dichlorophenyl)-6-methoxypyridine-2,5-diamine
CID 43261448
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine
CID 80926807
4-bromo-2-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 65342953
4-chloro-1-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 29067093
6-methoxy-2-N-(2,3,5-trifluorophenyl)pyridine-2,5-diamine
CID 62808949
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80738081
2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 2735891
6-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112867399
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine
CID 2060249
6-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 66477569
2-(2-chloro-4-methoxypyrimidin-5-yl)-4-(trifluoromethyl)aniline
CID 118624047

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methoxypyridine-2,5-diamine?
The IUPAC name of 2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methoxypyridine-2,5-diamine (CID 43261475) is 2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methoxypyridine-2,5-diamine is COc1nc(Nc2cc(C(F)(F)F)ccc2Cl)ccc1N.
What is the InChIKey of 2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methoxypyridine-2,5-diamine?
The InChIKey is FCMXDBDTRAKXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O/c1-21-12-9(18)4-5-11(20-12)19-10-6-7(13(15,16)17)2-3-8(10)14/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methoxypyridine-2,5-diamine?
2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methoxypyridine-2,5-diamine has a molecular weight of 317.70 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methoxypyridine-2,5-diamine is sourced from PubChem (CID 43261475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).