2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine

C14H15BrClN3O — CID 81262204

IUPAC2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)Oc1nc(Nc2ccc(Cl)cc2Br)ccc1N
InChIInChI=1S/C14H15BrClN3O/c1-8(2)20-14-11(17)4-6-13(19-14)18-12-5-3-9(16)7-10(12)15/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyFTIVJUNCQYCNFS-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.61
Rot. Bonds4

About 2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine

2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine (PubChem CID 81262204) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is 2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
PubChem CID81262204
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC Name2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)Oc1nc(Nc2ccc(Cl)cc2Br)ccc1N
InChIInChI=1S/C14H15BrClN3O/c1-8(2)20-14-11(17)4-6-13(19-14)18-12-5-3-9(16)7-10(12)15/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyFTIVJUNCQYCNFS-UHFFFAOYSA-N
XLogP4.61
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 107633622
2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 81287060
2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 107363647
2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 63403025
2-N-(3,5-dimethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261617
2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 83077911
2-N-(3-bromophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261575
2-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 82798611
2-N-(2,4-dichlorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43261371
6-propan-2-yloxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine
CID 43261404
2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine
CID 54954761
2-N-(2-bromo-4-chlorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 81256501

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The IUPAC name of 2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine (CID 81262204) is 2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine is CC(C)Oc1nc(Nc2ccc(Cl)cc2Br)ccc1N.
What is the InChIKey of 2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The InChIKey is FTIVJUNCQYCNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O/c1-8(2)20-14-11(17)4-6-13(19-14)18-12-5-3-9(16)7-10(12)15/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine?
2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine has a molecular weight of 356.65 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine is sourced from PubChem (CID 81262204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).