3-bromo-5-methyl-2-methylidenepyridin-1-amine

C7H9BrN2 — CID 147491047

IUPAC3-bromo-5-methyl-2-methylidenepyridin-1-amine
SMILESC=C1C(Br)=CC(C)=CN1N
InChIInChI=1S/C7H9BrN2/c1-5-3-7(8)6(2)10(9)4-5/h3-4H,2,9H2,1H3
InChIKeyAKHAPYDEOAAFDI-UHFFFAOYSA-N
MW201.07 g/mol
LogP1.87
Rot. Bonds

About 3-bromo-5-methyl-2-methylidenepyridin-1-amine

3-bromo-5-methyl-2-methylidenepyridin-1-amine (PubChem CID 147491047) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 3-bromo-5-methyl-2-methylidenepyridin-1-amine.

Molecular Properties

Compound Name3-bromo-5-methyl-2-methylidenepyridin-1-amine
PubChem CID147491047
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name3-bromo-5-methyl-2-methylidenepyridin-1-amine
SMILESC=C1C(Br)=CC(C)=CN1N
InChIInChI=1S/C7H9BrN2/c1-5-3-7(8)6(2)10(9)4-5/h3-4H,2,9H2,1H3
InChIKeyAKHAPYDEOAAFDI-UHFFFAOYSA-N
XLogP1.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

Pyridine, 1-amino-4,6-dimethyl-
CID 137427503
5-bromo-3-fluoro-2-methyl-2H-pyridin-1-amine
CID 139453665
3-Fluoro-5-methyl-2-methylidenepyridin-1-amine
CID 159920057
4-bromo-2-methyl-2H-pyridin-1-amine
CID 67626976
2-bromo-4-methyl-2H-pyridin-1-amine
CID 142725515
5-bromo-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 147491046
(2Z)-5-methyl-2-prop-2-enylidenepyridin-1-amine
CID 155349912
(2Z)-4-bromo-2-butan-2-ylidenepyridin-1-amine
CID 167211736
5-bromo-2,4-dimethyl-2H-pyridin-1-amine
CID 167217344
5-Bromo-2,2-dimethylpyridin-1-amine
CID 174411009
5-Methyl-2-methylidenepyridin-1-amine
CID 147720146
3-bromo-N,5-dimethyl-2-methylidenepyridin-1-amine
CID 158154542

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-2-methylidenepyridin-1-amine?
The IUPAC name of 3-bromo-5-methyl-2-methylidenepyridin-1-amine (CID 147491047) is 3-bromo-5-methyl-2-methylidenepyridin-1-amine.
What is the SMILES notation for 3-bromo-5-methyl-2-methylidenepyridin-1-amine?
The canonical SMILES for 3-bromo-5-methyl-2-methylidenepyridin-1-amine is C=C1C(Br)=CC(C)=CN1N.
What is the InChIKey of 3-bromo-5-methyl-2-methylidenepyridin-1-amine?
The InChIKey is AKHAPYDEOAAFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c1-5-3-7(8)6(2)10(9)4-5/h3-4H,2,9H2,1H3.
What are the key properties of 3-bromo-5-methyl-2-methylidenepyridin-1-amine?
3-bromo-5-methyl-2-methylidenepyridin-1-amine has a molecular weight of 201.07 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-2-methylidenepyridin-1-amine is sourced from PubChem (CID 147491047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).