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

C15H10Cl2N2O — CID 115512658

IUPAC2-(2-chlorophenyl)-1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESO=C(Cc1ccccc1Cl)c1c[nH]c2nccc(Cl)c12
InChIInChI=1S/C15H10Cl2N2O/c16-11-4-2-1-3-9(11)7-13(20)10-8-19-15-14(10)12(17)5-6-18-15/h1-6,8H,7H2,(H,18,19)
InChIKeyGTGQQLLKPCBBLQ-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.30
Rot. Bonds3

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

2-(2-chlorophenyl)-1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (PubChem CID 115512658) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
PubChem CID115512658
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name2-(2-chlorophenyl)-1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESO=C(Cc1ccccc1Cl)c1c[nH]c2nccc(Cl)c12
InChIInChI=1S/C15H10Cl2N2O/c16-11-4-2-1-3-9(11)7-13(20)10-8-19-15-14(10)12(17)5-6-18-15/h1-6,8H,7H2,(H,18,19)
InChIKeyGTGQQLLKPCBBLQ-UHFFFAOYSA-N
XLogP4.30
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.30
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
1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(4-methylphenyl)ethanone
CID 115512617
2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetic acid
CID 115512759
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone
CID 115512742
(2-aminophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512791
1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,5,5-trimethylhexan-1-one
CID 115512684
2-(2-chlorophenyl)-1-(4-methyl-1H-indol-3-yl)ethanone
CID 43163365
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-thiophen-2-ylmethanone
CID 115512654
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-ethylphenyl)methanone
CID 115512719
2-(2-chlorophenyl)-1-pyrazin-2-ylethanone
CID 60799259
(5-chloro-2-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512689
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-diaminophenyl)methanone
CID 115512779

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (CID 115512658) is 2-(2-chlorophenyl)-1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is O=C(Cc1ccccc1Cl)c1c[nH]c2nccc(Cl)c12.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The InChIKey is GTGQQLLKPCBBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-11-4-2-1-3-9(11)7-13(20)10-8-19-15-14(10)12(17)5-6-18-15/h1-6,8H,7H2,(H,18,19).
What are the key properties of 2-(2-chlorophenyl)-1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
2-(2-chlorophenyl)-1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone has a molecular weight of 305.16 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 115512658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).