5-bromo-N-methyl-N-pyridin-4-ylindol-1-amine

C14H12BrN3 — CID 10542372

IUPAC5-bromo-N-methyl-N-pyridin-4-ylindol-1-amine
SMILESCN(c1ccncc1)n1ccc2cc(Br)ccc21
InChIInChI=1S/C14H12BrN3/c1-17(13-4-7-16-8-5-13)18-9-6-11-10-12(15)2-3-14(11)18/h2-10H,1H3
InChIKeyLCPXLRHRFOEFHQ-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.70
Rot. Bonds2

About 5-bromo-N-methyl-N-pyridin-4-ylindol-1-amine

5-bromo-N-methyl-N-pyridin-4-ylindol-1-amine (PubChem CID 10542372) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-pyridin-4-ylindol-1-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-pyridin-4-ylindol-1-amine
PubChem CID10542372
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name5-bromo-N-methyl-N-pyridin-4-ylindol-1-amine
SMILESCN(c1ccncc1)n1ccc2cc(Br)ccc21
InChIInChI=1S/C14H12BrN3/c1-17(13-4-7-16-8-5-13)18-9-6-11-10-12(15)2-3-14(11)18/h2-10H,1H3
InChIKeyLCPXLRHRFOEFHQ-UHFFFAOYSA-N
XLogP3.70
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-pyridin-4-ylindol-1-amine?
The IUPAC name of 5-bromo-N-methyl-N-pyridin-4-ylindol-1-amine (CID 10542372) is 5-bromo-N-methyl-N-pyridin-4-ylindol-1-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-pyridin-4-ylindol-1-amine?
The canonical SMILES for 5-bromo-N-methyl-N-pyridin-4-ylindol-1-amine is CN(c1ccncc1)n1ccc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-N-methyl-N-pyridin-4-ylindol-1-amine?
The InChIKey is LCPXLRHRFOEFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-17(13-4-7-16-8-5-13)18-9-6-11-10-12(15)2-3-14(11)18/h2-10H,1H3.
What are the key properties of 5-bromo-N-methyl-N-pyridin-4-ylindol-1-amine?
5-bromo-N-methyl-N-pyridin-4-ylindol-1-amine has a molecular weight of 302.18 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-pyridin-4-ylindol-1-amine is sourced from PubChem (CID 10542372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).