2,4-dibromo-3-methyl-2H-pyridin-1-amine

C6H8Br2N2 — CID 175757593

IUPAC2,4-dibromo-3-methyl-2H-pyridin-1-amine
SMILESCC1=C(Br)C=CN(N)C1Br
InChIInChI=1S/C6H8Br2N2/c1-4-5(7)2-3-10(9)6(4)8/h2-3,6H,9H2,1H3
InChIKeyISRMNPVQGOQWQG-UHFFFAOYSA-N
MW267.95 g/mol
LogP2.08
Rot. Bonds

About 2,4-dibromo-3-methyl-2H-pyridin-1-amine

2,4-dibromo-3-methyl-2H-pyridin-1-amine (PubChem CID 175757593) has the molecular formula C6H8Br2N2 and a molecular weight of 267.95 g/mol. Its IUPAC name is 2,4-dibromo-3-methyl-2H-pyridin-1-amine.

Molecular Properties

Compound Name2,4-dibromo-3-methyl-2H-pyridin-1-amine
PubChem CID175757593
Molecular FormulaC6H8Br2N2
Molecular Weight267.95 g/mol
Exact Mass265.91
IUPAC Name2,4-dibromo-3-methyl-2H-pyridin-1-amine
SMILESCC1=C(Br)C=CN(N)C1Br
InChIInChI=1S/C6H8Br2N2/c1-4-5(7)2-3-10(9)6(4)8/h2-3,6H,9H2,1H3
InChIKeyISRMNPVQGOQWQG-UHFFFAOYSA-N
XLogP2.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.95
LogP ≤ 52.08
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

2-bromo-4-methyl-2H-pyridin-1-amine
CID 142725515

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-3-methyl-2H-pyridin-1-amine?
The IUPAC name of 2,4-dibromo-3-methyl-2H-pyridin-1-amine (CID 175757593) is 2,4-dibromo-3-methyl-2H-pyridin-1-amine.
What is the SMILES notation for 2,4-dibromo-3-methyl-2H-pyridin-1-amine?
The canonical SMILES for 2,4-dibromo-3-methyl-2H-pyridin-1-amine is CC1=C(Br)C=CN(N)C1Br.
What is the InChIKey of 2,4-dibromo-3-methyl-2H-pyridin-1-amine?
The InChIKey is ISRMNPVQGOQWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Br2N2/c1-4-5(7)2-3-10(9)6(4)8/h2-3,6H,9H2,1H3.
What are the key properties of 2,4-dibromo-3-methyl-2H-pyridin-1-amine?
2,4-dibromo-3-methyl-2H-pyridin-1-amine has a molecular weight of 267.95 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-3-methyl-2H-pyridin-1-amine is sourced from PubChem (CID 175757593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).