2-bromo-4-methyl-2H-pyridin-1-amine

C6H9BrN2 — CID 142725515

IUPAC2-bromo-4-methyl-2H-pyridin-1-amine
SMILESCC1=CC(Br)N(N)C=C1
InChIInChI=1S/C6H9BrN2/c1-5-2-3-9(8)6(7)4-5/h2-4,6H,8H2,1H3
InChIKeyNNLRFLWUIFCIKN-UHFFFAOYSA-N
MW189.06 g/mol
LogP1.36
Rot. Bonds

About 2-bromo-4-methyl-2H-pyridin-1-amine

2-bromo-4-methyl-2H-pyridin-1-amine (PubChem CID 142725515) has the molecular formula C6H9BrN2 and a molecular weight of 189.06 g/mol. Its IUPAC name is 2-bromo-4-methyl-2H-pyridin-1-amine.

Molecular Properties

Compound Name2-bromo-4-methyl-2H-pyridin-1-amine
PubChem CID142725515
Molecular FormulaC6H9BrN2
Molecular Weight189.06 g/mol
Exact Mass187.99
IUPAC Name2-bromo-4-methyl-2H-pyridin-1-amine
SMILESCC1=CC(Br)N(N)C=C1
InChIInChI=1S/C6H9BrN2/c1-5-2-3-9(8)6(7)4-5/h2-4,6H,8H2,1H3
InChIKeyNNLRFLWUIFCIKN-UHFFFAOYSA-N
XLogP1.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-Amino-4-methylpyridine
CID 129795107
(2Z)-2-but-3-en-2-ylidenepyridin-1-amine
CID 156080775
4-ethyl-2H-pyridin-1-amine
CID 156182255
(2Z)-4-bromo-2-butan-2-ylidenepyridin-1-amine
CID 167211736
3,4-dimethyl-2H-pyridin-1-amine
CID 144274673
3-Bromo-5-methyl-2-methylidenepyridin-1-amine
CID 147491047
2,4-dibromo-3-methyl-2H-pyridin-1-amine
CID 175757593

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-2H-pyridin-1-amine?
The IUPAC name of 2-bromo-4-methyl-2H-pyridin-1-amine (CID 142725515) is 2-bromo-4-methyl-2H-pyridin-1-amine.
What is the SMILES notation for 2-bromo-4-methyl-2H-pyridin-1-amine?
The canonical SMILES for 2-bromo-4-methyl-2H-pyridin-1-amine is CC1=CC(Br)N(N)C=C1.
What is the InChIKey of 2-bromo-4-methyl-2H-pyridin-1-amine?
The InChIKey is NNLRFLWUIFCIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2/c1-5-2-3-9(8)6(7)4-5/h2-4,6H,8H2,1H3.
What are the key properties of 2-bromo-4-methyl-2H-pyridin-1-amine?
2-bromo-4-methyl-2H-pyridin-1-amine has a molecular weight of 189.06 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-2H-pyridin-1-amine is sourced from PubChem (CID 142725515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).