5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine

C12H12BrN3O — CID 113423853

IUPAC5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine
SMILESCOc1ccc(Br)cc1Nc1cncc(N)c1
InChIInChI=1S/C12H12BrN3O/c1-17-12-3-2-8(13)4-11(12)16-10-5-9(14)6-15-7-10/h2-7,16H,14H2,1H3
InChIKeyLQJZRONKTTZDNQ-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.18
Rot. Bonds3

About 5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine

5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine (PubChem CID 113423853) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine
PubChem CID113423853
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine
SMILESCOc1ccc(Br)cc1Nc1cncc(N)c1
InChIInChI=1S/C12H12BrN3O/c1-17-12-3-2-8(13)4-11(12)16-10-5-9(14)6-15-7-10/h2-7,16H,14H2,1H3
InChIKeyLQJZRONKTTZDNQ-UHFFFAOYSA-N
XLogP3.18
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(5-bromo-2-methoxyphenyl)benzene-1,3-diamine
CID 54968360
2-[(5-amino-3-pyridinyl)amino]-4-bromobenzonitrile
CID 107801738
1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62912318
5-N-(3-bromophenyl)pyridine-3,5-diamine
CID 104532361
5-N-(2-bromophenyl)pyridine-3,5-diamine
CID 104532355
2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436922
N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine
CID 102824089
2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide
CID 79466769
4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine
CID 113367654
4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 80804517
4-N-(5-bromo-2-methoxyphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747494
2-N-(5-bromo-2-methoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 55068109

Frequently Asked Questions

What is the IUPAC name of 5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine?
The IUPAC name of 5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine (CID 113423853) is 5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine.
What is the SMILES notation for 5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine?
The canonical SMILES for 5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine is COc1ccc(Br)cc1Nc1cncc(N)c1.
What is the InChIKey of 5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine?
The InChIKey is LQJZRONKTTZDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-17-12-3-2-8(13)4-11(12)16-10-5-9(14)6-15-7-10/h2-7,16H,14H2,1H3.
What are the key properties of 5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine?
5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine has a molecular weight of 294.15 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine is sourced from PubChem (CID 113423853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).