5-(2-bromo-3-methyl-4-pyridinyl)pyridin-2-amine

C11H10BrN3 — CID 174798343

IUPAC5-(2-bromo-3-methyl-4-pyridinyl)pyridin-2-amine
SMILESCc1c(-c2ccc(N)nc2)ccnc1Br
InChIInChI=1S/C11H10BrN3/c1-7-9(4-5-14-11(7)12)8-2-3-10(13)15-6-8/h2-6H,1H3,(H2,13,15)
InChIKeyVTSXGOZGESXORV-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.80
Rot. Bonds1

About 5-(2-bromo-3-methyl-4-pyridinyl)pyridin-2-amine

5-(2-bromo-3-methyl-4-pyridinyl)pyridin-2-amine (PubChem CID 174798343) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is 5-(2-bromo-3-methyl-4-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-bromo-3-methyl-4-pyridinyl)pyridin-2-amine
PubChem CID174798343
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC Name5-(2-bromo-3-methyl-4-pyridinyl)pyridin-2-amine
SMILESCc1c(-c2ccc(N)nc2)ccnc1Br
InChIInChI=1S/C11H10BrN3/c1-7-9(4-5-14-11(7)12)8-2-3-10(13)15-6-8/h2-6H,1H3,(H2,13,15)
InChIKeyVTSXGOZGESXORV-UHFFFAOYSA-N
XLogP2.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-3-methyl-4-pyridinyl)pyridin-2-amine?
The IUPAC name of 5-(2-bromo-3-methyl-4-pyridinyl)pyridin-2-amine (CID 174798343) is 5-(2-bromo-3-methyl-4-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 5-(2-bromo-3-methyl-4-pyridinyl)pyridin-2-amine?
The canonical SMILES for 5-(2-bromo-3-methyl-4-pyridinyl)pyridin-2-amine is Cc1c(-c2ccc(N)nc2)ccnc1Br.
What is the InChIKey of 5-(2-bromo-3-methyl-4-pyridinyl)pyridin-2-amine?
The InChIKey is VTSXGOZGESXORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3/c1-7-9(4-5-14-11(7)12)8-2-3-10(13)15-6-8/h2-6H,1H3,(H2,13,15).
What are the key properties of 5-(2-bromo-3-methyl-4-pyridinyl)pyridin-2-amine?
5-(2-bromo-3-methyl-4-pyridinyl)pyridin-2-amine has a molecular weight of 264.13 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-3-methyl-4-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 174798343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).