4-N-(3-bromo-2-methylphenyl)pyridine-3,4-diamine

C12H12BrN3 — CID 107633766

IUPAC4-N-(3-bromo-2-methylphenyl)pyridine-3,4-diamine
SMILESCc1c(Br)cccc1Nc1ccncc1N
InChIInChI=1S/C12H12BrN3/c1-8-9(13)3-2-4-11(8)16-12-5-6-15-7-10(12)14/h2-7H,14H2,1H3,(H,15,16)
InChIKeyQVYLKGQZXFZRNX-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.48
Rot. Bonds2

About 4-N-(3-bromo-2-methylphenyl)pyridine-3,4-diamine

4-N-(3-bromo-2-methylphenyl)pyridine-3,4-diamine (PubChem CID 107633766) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 4-N-(3-bromo-2-methylphenyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-2-methylphenyl)pyridine-3,4-diamine
PubChem CID107633766
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name4-N-(3-bromo-2-methylphenyl)pyridine-3,4-diamine
SMILESCc1c(Br)cccc1Nc1ccncc1N
InChIInChI=1S/C12H12BrN3/c1-8-9(13)3-2-4-11(8)16-12-5-6-15-7-10(12)14/h2-7H,14H2,1H3,(H,15,16)
InChIKeyQVYLKGQZXFZRNX-UHFFFAOYSA-N
XLogP3.48
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine
CID 107638555
2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine
CID 107633682
6-N-(3-bromo-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 107633727
4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine
CID 102903431
4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 107638778
4-N-(3-methoxyphenyl)pyridine-3,4-diamine
CID 29067426
4-N-(4-methoxyphenyl)pyridine-3,4-diamine
CID 13287152
8-N-(3-fluoro-2-methylphenyl)isoquinoline-5,8-diamine
CID 103137873
1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine
CID 43349512
N,3-dibromo-2-methylaniline
CID 155755469
3-amino-4-(3-bromo-2-methylanilino)-N-ethylbenzamide
CID 107633752
2-N-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 107633622

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-2-methylphenyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(3-bromo-2-methylphenyl)pyridine-3,4-diamine (CID 107633766) is 4-N-(3-bromo-2-methylphenyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(3-bromo-2-methylphenyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(3-bromo-2-methylphenyl)pyridine-3,4-diamine is Cc1c(Br)cccc1Nc1ccncc1N.
What is the InChIKey of 4-N-(3-bromo-2-methylphenyl)pyridine-3,4-diamine?
The InChIKey is QVYLKGQZXFZRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-8-9(13)3-2-4-11(8)16-12-5-6-15-7-10(12)14/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 4-N-(3-bromo-2-methylphenyl)pyridine-3,4-diamine?
4-N-(3-bromo-2-methylphenyl)pyridine-3,4-diamine has a molecular weight of 278.15 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-2-methylphenyl)pyridine-3,4-diamine is sourced from PubChem (CID 107633766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).