1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(4-methylphenyl)ethanone

C16H13ClN2O — CID 115512617

IUPAC1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2c[nH]c3nccc(Cl)c23)cc1
InChIInChI=1S/C16H13ClN2O/c1-10-2-4-11(5-3-10)8-14(20)12-9-19-16-15(12)13(17)6-7-18-16/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyIUCCXWNSOXFVTK-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.95
Rot. Bonds3

About 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(4-methylphenyl)ethanone

1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(4-methylphenyl)ethanone (PubChem CID 115512617) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(4-methylphenyl)ethanone
PubChem CID115512617
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2c[nH]c3nccc(Cl)c23)cc1
InChIInChI=1S/C16H13ClN2O/c1-10-2-4-11(5-3-10)8-14(20)12-9-19-16-15(12)13(17)6-7-18-16/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyIUCCXWNSOXFVTK-UHFFFAOYSA-N
XLogP3.95
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
CID 115512659
2-(2-chlorophenyl)-1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 115512658
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-ethylphenyl)methanone
CID 115512719
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 115512690
2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetic acid
CID 115512759
1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,5,5-trimethylhexan-1-one
CID 115512684
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone
CID 115512742
(3-bromo-2-methylphenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512724
1-(5-chloro-1H-indol-3-yl)-2-(4-methylphenyl)ethanone
CID 63878353
1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498
(3-bromo-4-methylphenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512647
2-(3,4-dichlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 63045615

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(4-methylphenyl)ethanone (CID 115512617) is 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)c2c[nH]c3nccc(Cl)c23)cc1.
What is the InChIKey of 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(4-methylphenyl)ethanone?
The InChIKey is IUCCXWNSOXFVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10-2-4-11(5-3-10)8-14(20)12-9-19-16-15(12)13(17)6-7-18-16/h2-7,9H,8H2,1H3,(H,18,19).
What are the key properties of 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(4-methylphenyl)ethanone?
1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(4-methylphenyl)ethanone has a molecular weight of 284.75 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 115512617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).