3-bromo-1-methyl-6-(pyridin-3-ylmethoxy)pyrrolo[2,3-b]pyridine

C14H12BrN3O — CID 67951760

IUPAC3-bromo-1-methyl-6-(pyridin-3-ylmethoxy)pyrrolo[2,3-b]pyridine
SMILESCn1cc(Br)c2ccc(OCc3cccnc3)nc21
InChIInChI=1S/C14H12BrN3O/c1-18-8-12(15)11-4-5-13(17-14(11)18)19-9-10-3-2-6-16-7-10/h2-8H,9H2,1H3
InChIKeyMPYGRURRANEYQV-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.31
Rot. Bonds3

About 3-bromo-1-methyl-6-(pyridin-3-ylmethoxy)pyrrolo[2,3-b]pyridine

3-bromo-1-methyl-6-(pyridin-3-ylmethoxy)pyrrolo[2,3-b]pyridine (PubChem CID 67951760) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 3-bromo-1-methyl-6-(pyridin-3-ylmethoxy)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-1-methyl-6-(pyridin-3-ylmethoxy)pyrrolo[2,3-b]pyridine
PubChem CID67951760
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name3-bromo-1-methyl-6-(pyridin-3-ylmethoxy)pyrrolo[2,3-b]pyridine
SMILESCn1cc(Br)c2ccc(OCc3cccnc3)nc21
InChIInChI=1S/C14H12BrN3O/c1-18-8-12(15)11-4-5-13(17-14(11)18)19-9-10-3-2-6-16-7-10/h2-8H,9H2,1H3
InChIKeyMPYGRURRANEYQV-UHFFFAOYSA-N
XLogP3.31
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[1-methyl-6-(pyridin-3-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]-3-oxopiperazine-1-carboxylate
CID 67951759
3-fluoro-2-methyl-6-(pyridin-3-ylmethoxy)pyridine
CID 126954055
2-(pyridin-3-ylmethoxy)pyrazine
CID 90915376
3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]pyridine
CID 61392148
3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine
CID 43622762
[3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 107741287
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
N-[[3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 107742755
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
4-methyl-2-(pyridin-3-ylmethoxy)pyrimidine
CID 135179561
4-bromo-3-(pyridin-3-ylmethoxy)aniline
CID 103009337

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-6-(pyridin-3-ylmethoxy)pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-bromo-1-methyl-6-(pyridin-3-ylmethoxy)pyrrolo[2,3-b]pyridine (CID 67951760) is 3-bromo-1-methyl-6-(pyridin-3-ylmethoxy)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-1-methyl-6-(pyridin-3-ylmethoxy)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-1-methyl-6-(pyridin-3-ylmethoxy)pyrrolo[2,3-b]pyridine is Cn1cc(Br)c2ccc(OCc3cccnc3)nc21.
What is the InChIKey of 3-bromo-1-methyl-6-(pyridin-3-ylmethoxy)pyrrolo[2,3-b]pyridine?
The InChIKey is MPYGRURRANEYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-18-8-12(15)11-4-5-13(17-14(11)18)19-9-10-3-2-6-16-7-10/h2-8H,9H2,1H3.
What are the key properties of 3-bromo-1-methyl-6-(pyridin-3-ylmethoxy)pyrrolo[2,3-b]pyridine?
3-bromo-1-methyl-6-(pyridin-3-ylmethoxy)pyrrolo[2,3-b]pyridine has a molecular weight of 318.17 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-6-(pyridin-3-ylmethoxy)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67951760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).