(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-(3-methoxyphenyl)methanone

C15H11BrN2O2 — CID 90936242

IUPAC(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2c(Br)cnc3[nH]ccc23)c1
InChIInChI=1S/C15H11BrN2O2/c1-20-10-4-2-3-9(7-10)14(19)13-11-5-6-17-15(11)18-8-12(13)16/h2-8H,1H3,(H,17,18)
InChIKeyWAYHBCLKPRCZSP-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.57
Rot. Bonds3

About (5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-(3-methoxyphenyl)methanone

(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-(3-methoxyphenyl)methanone (PubChem CID 90936242) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is (5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-(3-methoxyphenyl)methanone
PubChem CID90936242
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2c(Br)cnc3[nH]ccc23)c1
InChIInChI=1S/C15H11BrN2O2/c1-20-10-4-2-3-9(7-10)14(19)13-11-5-6-17-15(11)18-8-12(13)16/h2-8H,1H3,(H,17,18)
InChIKeyWAYHBCLKPRCZSP-UHFFFAOYSA-N
XLogP3.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxybenzyl)-1H-pyrrolo(2,3-b)pyridine
CID 24180722
N-[2-[[3-(3-methoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide
CID 146271378
(E)-(4-(3,5-Difluorophenyl)-3H-pyrrolo(2,3-b)pyridin-3-ylidene)(3-methoxyphenyl)methanol
CID 11674979
N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 57402971
4-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
CID 145963687
[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-phenylmethanone
CID 155536780
methyl 3-[3-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate
CID 166632247
2-[(3-methoxyphenyl)methyl]-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 168276673
2-[(3-methoxyphenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-isoindol-1-one
CID 168285259
2-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 168286073
(4-((cis-4-aminocyclohexyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)(4-fluoro-3-methoxyphenyl)methanone
CID 134283330
3-((5-Bromopyridin-2-yl)amino)-1-(3-(difluoromethoxy)phenyl)prop-2-en-1-one
CID 6211398

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-(3-methoxyphenyl)methanone (CID 90936242) is (5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2c(Br)cnc3[nH]ccc23)c1.
What is the InChIKey of (5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-(3-methoxyphenyl)methanone?
The InChIKey is WAYHBCLKPRCZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-20-10-4-2-3-9(7-10)14(19)13-11-5-6-17-15(11)18-8-12(13)16/h2-8H,1H3,(H,17,18).
What are the key properties of (5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-(3-methoxyphenyl)methanone?
(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-(3-methoxyphenyl)methanone has a molecular weight of 331.17 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 90936242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).