6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine

C10H11BrN4 — CID 154684827

IUPAC6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
SMILESCc1cc(Br)nc(Nc2cc(C)[nH]n2)c1
InChIInChI=1S/C10H11BrN4/c1-6-3-8(11)12-9(4-6)13-10-5-7(2)14-15-10/h3-5H,1-2H3,(H2,12,13,14,15)
InChIKeyVJDQQJPRYKRDMK-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.93
Rot. Bonds2

About 6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine

6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine (PubChem CID 154684827) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is 6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
PubChem CID154684827
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
SMILESCc1cc(Br)nc(Nc2cc(C)[nH]n2)c1
InChIInChI=1S/C10H11BrN4/c1-6-3-8(11)12-9(4-6)13-10-5-7(2)14-15-10/h3-5H,1-2H3,(H2,12,13,14,15)
InChIKeyVJDQQJPRYKRDMK-UHFFFAOYSA-N
XLogP2.93
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.93
H-Bond Donors ≤ 52
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 6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine?
The IUPAC name of 6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine (CID 154684827) is 6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine?
The canonical SMILES for 6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine is Cc1cc(Br)nc(Nc2cc(C)[nH]n2)c1.
What is the InChIKey of 6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine?
The InChIKey is VJDQQJPRYKRDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c1-6-3-8(11)12-9(4-6)13-10-5-7(2)14-15-10/h3-5H,1-2H3,(H2,12,13,14,15).
What are the key properties of 6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine?
6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine has a molecular weight of 267.13 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 154684827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).