6-(7-bromo-1-methylindol-2-yl)pyridin-3-amine

C14H12BrN3 — CID 115110384

IUPAC6-(7-bromo-1-methylindol-2-yl)pyridin-3-amine
SMILESCn1c(-c2ccc(N)cn2)cc2cccc(Br)c21
InChIInChI=1S/C14H12BrN3/c1-18-13(12-6-5-10(16)8-17-12)7-9-3-2-4-11(15)14(9)18/h2-8H,16H2,1H3
InChIKeyOPBCOJKJAMLTAH-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.59
Rot. Bonds1

About 6-(7-bromo-1-methylindol-2-yl)pyridin-3-amine

6-(7-bromo-1-methylindol-2-yl)pyridin-3-amine (PubChem CID 115110384) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 6-(7-bromo-1-methylindol-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(7-bromo-1-methylindol-2-yl)pyridin-3-amine
PubChem CID115110384
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name6-(7-bromo-1-methylindol-2-yl)pyridin-3-amine
SMILESCn1c(-c2ccc(N)cn2)cc2cccc(Br)c21
InChIInChI=1S/C14H12BrN3/c1-18-13(12-6-5-10(16)8-17-12)7-9-3-2-4-11(15)14(9)18/h2-8H,16H2,1H3
InChIKeyOPBCOJKJAMLTAH-UHFFFAOYSA-N
XLogP3.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(7-bromo-1-methylindol-2-yl)pyridin-3-amine?
The IUPAC name of 6-(7-bromo-1-methylindol-2-yl)pyridin-3-amine (CID 115110384) is 6-(7-bromo-1-methylindol-2-yl)pyridin-3-amine.
What is the SMILES notation for 6-(7-bromo-1-methylindol-2-yl)pyridin-3-amine?
The canonical SMILES for 6-(7-bromo-1-methylindol-2-yl)pyridin-3-amine is Cn1c(-c2ccc(N)cn2)cc2cccc(Br)c21.
What is the InChIKey of 6-(7-bromo-1-methylindol-2-yl)pyridin-3-amine?
The InChIKey is OPBCOJKJAMLTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-18-13(12-6-5-10(16)8-17-12)7-9-3-2-4-11(15)14(9)18/h2-8H,16H2,1H3.
What are the key properties of 6-(7-bromo-1-methylindol-2-yl)pyridin-3-amine?
6-(7-bromo-1-methylindol-2-yl)pyridin-3-amine has a molecular weight of 302.18 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-bromo-1-methylindol-2-yl)pyridin-3-amine is sourced from PubChem (CID 115110384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).