(3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone

C14H10Cl2N2O — CID 121191035

IUPAC(3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1Cc2cccnc2C1
InChIInChI=1S/C14H10Cl2N2O/c15-11-4-3-9(6-12(11)16)14(19)18-7-10-2-1-5-17-13(10)8-18/h1-6H,7-8H2
InChIKeyZDUPFCQKZSNOPP-UHFFFAOYSA-N
MW293.15 g/mol
LogP3.54
Rot. Bonds1

About (3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone

(3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone (PubChem CID 121191035) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
PubChem CID121191035
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name(3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1Cc2cccnc2C1
InChIInChI=1S/C14H10Cl2N2O/c15-11-4-3-9(6-12(11)16)14(19)18-7-10-2-1-5-17-13(10)8-18/h1-6H,7-8H2
InChIKeyZDUPFCQKZSNOPP-UHFFFAOYSA-N
XLogP3.54
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-chlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121191013
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(3-fluoro-4-methylphenyl)methanone
CID 121191086
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(1H-indol-6-yl)methanone
CID 121184526
(4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 81307787
4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyridin-2-one
CID 121184533
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone
CID 121184528
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 121190939
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(4-methylthiophen-2-yl)methanone
CID 121190850
(2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053714
(4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121191124
3-(4-chloro-3-fluorophenyl)-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propan-1-one
CID 121190973
[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 39711919

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone (CID 121191035) is (3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone is O=C(c1ccc(Cl)c(Cl)c1)N1Cc2cccnc2C1.
What is the InChIKey of (3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone?
The InChIKey is ZDUPFCQKZSNOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c15-11-4-3-9(6-12(11)16)14(19)18-7-10-2-1-5-17-13(10)8-18/h1-6H,7-8H2.
What are the key properties of (3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone?
(3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone has a molecular weight of 293.15 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone is sourced from PubChem (CID 121191035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).