5-bromo-3-methyl-N-pyrrol-1-ylpyridin-2-amine

C10H10BrN3 — CID 79717901

IUPAC5-bromo-3-methyl-N-pyrrol-1-ylpyridin-2-amine
SMILESCc1cc(Br)cnc1Nn1cccc1
InChIInChI=1S/C10H10BrN3/c1-8-6-9(11)7-12-10(8)13-14-4-2-3-5-14/h2-7H,1H3,(H,12,13)
InChIKeyAKOOVZCDMRTYKB-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.83
Rot. Bonds2

About 5-bromo-3-methyl-N-pyrrol-1-ylpyridin-2-amine

5-bromo-3-methyl-N-pyrrol-1-ylpyridin-2-amine (PubChem CID 79717901) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-pyrrol-1-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-N-pyrrol-1-ylpyridin-2-amine
PubChem CID79717901
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name5-bromo-3-methyl-N-pyrrol-1-ylpyridin-2-amine
SMILESCc1cc(Br)cnc1Nn1cccc1
InChIInChI=1S/C10H10BrN3/c1-8-6-9(11)7-12-10(8)13-14-4-2-3-5-14/h2-7H,1H3,(H,12,13)
InChIKeyAKOOVZCDMRTYKB-UHFFFAOYSA-N
XLogP2.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-pyrrol-1-ylpyridin-2-amine?
The IUPAC name of 5-bromo-3-methyl-N-pyrrol-1-ylpyridin-2-amine (CID 79717901) is 5-bromo-3-methyl-N-pyrrol-1-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-methyl-N-pyrrol-1-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-methyl-N-pyrrol-1-ylpyridin-2-amine is Cc1cc(Br)cnc1Nn1cccc1.
What is the InChIKey of 5-bromo-3-methyl-N-pyrrol-1-ylpyridin-2-amine?
The InChIKey is AKOOVZCDMRTYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-8-6-9(11)7-12-10(8)13-14-4-2-3-5-14/h2-7H,1H3,(H,12,13).
What are the key properties of 5-bromo-3-methyl-N-pyrrol-1-ylpyridin-2-amine?
5-bromo-3-methyl-N-pyrrol-1-ylpyridin-2-amine has a molecular weight of 252.12 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-pyrrol-1-ylpyridin-2-amine is sourced from PubChem (CID 79717901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).