5-(4-bromo-1-methylindol-2-yl)pyridin-2-amine

C14H12BrN3 — CID 115113730

IUPAC5-(4-bromo-1-methylindol-2-yl)pyridin-2-amine
SMILESCn1c(-c2ccc(N)nc2)cc2c(Br)cccc21
InChIInChI=1S/C14H12BrN3/c1-18-12-4-2-3-11(15)10(12)7-13(18)9-5-6-14(16)17-8-9/h2-8H,1H3,(H2,16,17)
InChIKeyDINWQFDLFWUFOA-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.59
Rot. Bonds1

About 5-(4-bromo-1-methylindol-2-yl)pyridin-2-amine

5-(4-bromo-1-methylindol-2-yl)pyridin-2-amine (PubChem CID 115113730) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 5-(4-bromo-1-methylindol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-bromo-1-methylindol-2-yl)pyridin-2-amine
PubChem CID115113730
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name5-(4-bromo-1-methylindol-2-yl)pyridin-2-amine
SMILESCn1c(-c2ccc(N)nc2)cc2c(Br)cccc21
InChIInChI=1S/C14H12BrN3/c1-18-12-4-2-3-11(15)10(12)7-13(18)9-5-6-14(16)17-8-9/h2-8H,1H3,(H2,16,17)
InChIKeyDINWQFDLFWUFOA-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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Related Compounds

5-[1-methyl-7-(trifluoromethyl)indol-2-yl]pyridin-2-amine
CID 115113640
2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid
CID 115071837
CID 174586539
CID 174586539
4-bromo-2-(1-fluoroethyl)-1-methylindole
CID 84708729
5-[3-(4-bromo-2,5-difluorophenyl)imidazol-4-yl]pyridin-2-amine
CID 107608575
5-bromo-1-methyl-3-nitroquinolin-2-one
CID 162754059
1-(4-bromo-1-methylindol-2-yl)-N,N-dimethylmethanamine
CID 117173114
3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine
CID 115107883
5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine
CID 115107860
8-fluoro-9-methylpyrido[3,4-b]indol-3-amine
CID 115029021
methyl 2-amino-2-(4-bromo-1-methylindol-2-yl)acetate
CID 115071831
5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine
CID 115004731

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-1-methylindol-2-yl)pyridin-2-amine?
The IUPAC name of 5-(4-bromo-1-methylindol-2-yl)pyridin-2-amine (CID 115113730) is 5-(4-bromo-1-methylindol-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-(4-bromo-1-methylindol-2-yl)pyridin-2-amine?
The canonical SMILES for 5-(4-bromo-1-methylindol-2-yl)pyridin-2-amine is Cn1c(-c2ccc(N)nc2)cc2c(Br)cccc21.
What is the InChIKey of 5-(4-bromo-1-methylindol-2-yl)pyridin-2-amine?
The InChIKey is DINWQFDLFWUFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-18-12-4-2-3-11(15)10(12)7-13(18)9-5-6-14(16)17-8-9/h2-8H,1H3,(H2,16,17).
What are the key properties of 5-(4-bromo-1-methylindol-2-yl)pyridin-2-amine?
5-(4-bromo-1-methylindol-2-yl)pyridin-2-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 5-(4-bromo-1-methylindol-2-yl)pyridin-2-amine is sourced from PubChem (CID 115113730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).