2-(5-bromo-1-methylindol-3-yl)pyridin-4-amine

C14H12BrN3 — CID 115114160

IUPAC2-(5-bromo-1-methylindol-3-yl)pyridin-4-amine
SMILESCn1cc(-c2cc(N)ccn2)c2cc(Br)ccc21
InChIInChI=1S/C14H12BrN3/c1-18-8-12(13-7-10(16)4-5-17-13)11-6-9(15)2-3-14(11)18/h2-8H,1H3,(H2,16,17)
InChIKeyPWRGBKCSGMGCQB-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.59
Rot. Bonds1

About 2-(5-bromo-1-methylindol-3-yl)pyridin-4-amine

2-(5-bromo-1-methylindol-3-yl)pyridin-4-amine (PubChem CID 115114160) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 2-(5-bromo-1-methylindol-3-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-(5-bromo-1-methylindol-3-yl)pyridin-4-amine
PubChem CID115114160
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name2-(5-bromo-1-methylindol-3-yl)pyridin-4-amine
SMILESCn1cc(-c2cc(N)ccn2)c2cc(Br)ccc21
InChIInChI=1S/C14H12BrN3/c1-18-8-12(13-7-10(16)4-5-17-13)11-6-9(15)2-3-14(11)18/h2-8H,1H3,(H2,16,17)
InChIKeyPWRGBKCSGMGCQB-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

2-(6-fluoro-1-methylindol-3-yl)pyridin-4-amine
CID 115114118
[2-(1-methylindol-3-yl)-4-pyridinyl]methanamine
CID 115114062
4-[5-bromo-1-[3-(dimethylamino)propyl]indol-3-yl]pyrimidin-2-amine
CID 175086497
6-bromo-9-methylpyrido[3,4-b]indol-1-amine
CID 115051036
6-(5-bromo-1-methylindol-3-yl)-5-(5-methoxy-1-methylindol-3-yl)-1,2,4-triazin-3-amine
CID 169448308
[2-(1,6-dimethylindol-3-yl)-4-pyridinyl]methanamine
CID 115114104
4-[5-bromo-1-(2,3,4,5,6-pentamethylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine
CID 118737089
5-methylpyrrolo[2,3-c]quinoline
CID 46228107
6-amino-1-methylquinazolin-4-one
CID 130118535
5-bromo-3-[2-(5-bromo-1-methylindol-3-yl)propan-2-yl]-1-methylindole
CID 102127981
2-(5-bromo-1-methylindol-3-yl)ethanamine
CID 71560076
tris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride
CID 154703049

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-methylindol-3-yl)pyridin-4-amine?
The IUPAC name of 2-(5-bromo-1-methylindol-3-yl)pyridin-4-amine (CID 115114160) is 2-(5-bromo-1-methylindol-3-yl)pyridin-4-amine.
What is the SMILES notation for 2-(5-bromo-1-methylindol-3-yl)pyridin-4-amine?
The canonical SMILES for 2-(5-bromo-1-methylindol-3-yl)pyridin-4-amine is Cn1cc(-c2cc(N)ccn2)c2cc(Br)ccc21.
What is the InChIKey of 2-(5-bromo-1-methylindol-3-yl)pyridin-4-amine?
The InChIKey is PWRGBKCSGMGCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-18-8-12(13-7-10(16)4-5-17-13)11-6-9(15)2-3-14(11)18/h2-8H,1H3,(H2,16,17).
What are the key properties of 2-(5-bromo-1-methylindol-3-yl)pyridin-4-amine?
2-(5-bromo-1-methylindol-3-yl)pyridin-4-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 2-(5-bromo-1-methylindol-3-yl)pyridin-4-amine is sourced from PubChem (CID 115114160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).