2-N-[(5-bromo-2-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine

C13H13BrFN3O — CID 115320495

IUPAC2-N-[(5-bromo-2-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCc2cc(Br)ccc2F)n1
InChIInChI=1S/C13H13BrFN3O/c1-19-12-5-4-11(16)13(18-12)17-7-8-6-9(14)2-3-10(8)15/h2-6H,7,16H2,1H3,(H,17,18)
InChIKeyYLJYQICXRYZSPT-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.19
Rot. Bonds4

About 2-N-[(5-bromo-2-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine

2-N-[(5-bromo-2-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine (PubChem CID 115320495) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 2-N-[(5-bromo-2-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[(5-bromo-2-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine
PubChem CID115320495
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name2-N-[(5-bromo-2-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCc2cc(Br)ccc2F)n1
InChIInChI=1S/C13H13BrFN3O/c1-19-12-5-4-11(16)13(18-12)17-7-8-6-9(14)2-3-10(8)15/h2-6H,7,16H2,1H3,(H,17,18)
InChIKeyYLJYQICXRYZSPT-UHFFFAOYSA-N
XLogP3.19
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(5-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine
CID 113286539
6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 115320291
6-methoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,3-diamine
CID 113286378
6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine
CID 115320492
6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine
CID 113286515
2-N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine
CID 115320382
2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 116795672
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380671
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline
CID 60960603
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline
CID 82858279
2-N-butyl-6-methoxypyridine-2,3-diamine
CID 115320288
2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethanol;dihydrochloride
CID 3019251

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-bromo-2-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine?
The IUPAC name of 2-N-[(5-bromo-2-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine (CID 115320495) is 2-N-[(5-bromo-2-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine.
What is the SMILES notation for 2-N-[(5-bromo-2-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine?
The canonical SMILES for 2-N-[(5-bromo-2-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine is COc1ccc(N)c(NCc2cc(Br)ccc2F)n1.
What is the InChIKey of 2-N-[(5-bromo-2-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine?
The InChIKey is YLJYQICXRYZSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-19-12-5-4-11(16)13(18-12)17-7-8-6-9(14)2-3-10(8)15/h2-6H,7,16H2,1H3,(H,17,18).
What are the key properties of 2-N-[(5-bromo-2-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine?
2-N-[(5-bromo-2-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine has a molecular weight of 326.17 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-bromo-2-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine is sourced from PubChem (CID 115320495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).