2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine

C14H15ClFN3O — CID 107363647

IUPAC2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)Oc1nc(Nc2cc(F)cc(Cl)c2)ccc1N
InChIInChI=1S/C14H15ClFN3O/c1-8(2)20-14-12(17)3-4-13(19-14)18-11-6-9(15)5-10(16)7-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyXMZVXKZSOOULBH-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.99
Rot. Bonds4

About 2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine

2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine (PubChem CID 107363647) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
PubChem CID107363647
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)Oc1nc(Nc2cc(F)cc(Cl)c2)ccc1N
InChIInChI=1S/C14H15ClFN3O/c1-8(2)20-14-12(17)3-4-13(19-14)18-11-6-9(15)5-10(16)7-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyXMZVXKZSOOULBH-UHFFFAOYSA-N
XLogP3.99
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 83077911
2-N-(3,5-dimethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261617
2-N-(3,5-dichlorophenyl)-6-methoxypyridine-2,5-diamine
CID 43261448
2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 81262204
2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261396
2-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 82798611
2-N-(3-bromophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261575
2-N-(3-fluoro-5-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 79041425
1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 107363630
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261264
1-N-(3-chloro-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 107363730
2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 65475242

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The IUPAC name of 2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine (CID 107363647) is 2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine is CC(C)Oc1nc(Nc2cc(F)cc(Cl)c2)ccc1N.
What is the InChIKey of 2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The InChIKey is XMZVXKZSOOULBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-8(2)20-14-12(17)3-4-13(19-14)18-11-6-9(15)5-10(16)7-11/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine?
2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine has a molecular weight of 295.75 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine is sourced from PubChem (CID 107363647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).