6-methoxy-2-N-(2,3,5-trifluorophenyl)pyridine-2,5-diamine

C12H10F3N3O — CID 62808949

IUPAC6-methoxy-2-N-(2,3,5-trifluorophenyl)pyridine-2,5-diamine
SMILESCOc1nc(Nc2cc(F)cc(F)c2F)ccc1N
InChIInChI=1S/C12H10F3N3O/c1-19-12-8(16)2-3-10(18-12)17-9-5-6(13)4-7(14)11(9)15/h2-5H,16H2,1H3,(H,17,18)
InChIKeyCLSPHJDDYYHLPV-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.83
Rot. Bonds3

About 6-methoxy-2-N-(2,3,5-trifluorophenyl)pyridine-2,5-diamine

6-methoxy-2-N-(2,3,5-trifluorophenyl)pyridine-2,5-diamine (PubChem CID 62808949) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 6-methoxy-2-N-(2,3,5-trifluorophenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(2,3,5-trifluorophenyl)pyridine-2,5-diamine
PubChem CID62808949
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name6-methoxy-2-N-(2,3,5-trifluorophenyl)pyridine-2,5-diamine
SMILESCOc1nc(Nc2cc(F)cc(F)c2F)ccc1N
InChIInChI=1S/C12H10F3N3O/c1-19-12-8(16)2-3-10(18-12)17-9-5-6(13)4-7(14)11(9)15/h2-5H,16H2,1H3,(H,17,18)
InChIKeyCLSPHJDDYYHLPV-UHFFFAOYSA-N
XLogP2.83
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-fluoro-4-methylphenyl)-6-methoxypyridine-2,5-diamine
CID 43261717
2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine
CID 54954761
6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyridin-2-amine
CID 80918997
2-N-(3,5-dimethoxyphenyl)-6-methoxypyridine-2,5-diamine
CID 43261435
2-N-(3,5-dichlorophenyl)-6-methoxypyridine-2,5-diamine
CID 43261448
2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methoxypyridine-2,5-diamine
CID 43261475
6-methoxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine
CID 43261406
2-N-(5-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43261620
2-N-(2-ethoxyphenyl)-6-methoxypyridine-2,5-diamine
CID 43261354
6-(trifluoromethyl)-4-N-(2,3,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 114564923
6-methoxy-2-N-(3-methoxyphenyl)pyridine-2,5-diamine
CID 43261675
2-propyl-4-N-(2,3,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 80954841

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(2,3,5-trifluorophenyl)pyridine-2,5-diamine?
The IUPAC name of 6-methoxy-2-N-(2,3,5-trifluorophenyl)pyridine-2,5-diamine (CID 62808949) is 6-methoxy-2-N-(2,3,5-trifluorophenyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-methoxy-2-N-(2,3,5-trifluorophenyl)pyridine-2,5-diamine?
The canonical SMILES for 6-methoxy-2-N-(2,3,5-trifluorophenyl)pyridine-2,5-diamine is COc1nc(Nc2cc(F)cc(F)c2F)ccc1N.
What is the InChIKey of 6-methoxy-2-N-(2,3,5-trifluorophenyl)pyridine-2,5-diamine?
The InChIKey is CLSPHJDDYYHLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-19-12-8(16)2-3-10(18-12)17-9-5-6(13)4-7(14)11(9)15/h2-5H,16H2,1H3,(H,17,18).
What are the key properties of 6-methoxy-2-N-(2,3,5-trifluorophenyl)pyridine-2,5-diamine?
6-methoxy-2-N-(2,3,5-trifluorophenyl)pyridine-2,5-diamine has a molecular weight of 269.23 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(2,3,5-trifluorophenyl)pyridine-2,5-diamine is sourced from PubChem (CID 62808949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).