1-(3-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,2-dimethylpropan-1-one

C12H15ClN2O — CID 126750368

IUPAC1-(3-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1Cc2cc(Cl)cnc2C1
InChIInChI=1S/C12H15ClN2O/c1-12(2,3)11(16)15-6-8-4-9(13)5-14-10(8)7-15/h4-5H,6-7H2,1-3H3
InChIKeyURBVXINTILSPJQ-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.62
Rot. Bonds

About 1-(3-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,2-dimethylpropan-1-one

1-(3-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,2-dimethylpropan-1-one (PubChem CID 126750368) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-(3-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,2-dimethylpropan-1-one
PubChem CID126750368
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name1-(3-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1Cc2cc(Cl)cnc2C1
InChIInChI=1S/C12H15ClN2O/c1-12(2,3)11(16)15-6-8-4-9(13)5-14-10(8)7-15/h4-5H,6-7H2,1-3H3
InChIKeyURBVXINTILSPJQ-UHFFFAOYSA-N
XLogP2.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

1-(3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
CID 142605868
6-O-tert-butyl 3-O-methyl 5,7-dihydropyrrolo[3,4-b]pyridine-3,6-dicarboxylate
CID 71433196
1-(3-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylsulfonylphenyl)ethanone
CID 46965556
(3-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 110221397
tert-butyl 3-nitro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 25260226
1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113080329
1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-2,2-dimethylpropan-1-one
CID 135154709
tert-butyl 3-amino-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 3-bromo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 159373493
1-[5-[amino(phenyl)methyl]-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-one
CID 82175489
2,2-dimethyl-1-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 176621439
1-[4-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 126750535
N-[4-[(1,3-dihydroxy-2,2-dimethylpropyl)amino]phenyl]-3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 176960672

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,2-dimethylpropan-1-one (CID 126750368) is 1-(3-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1Cc2cc(Cl)cnc2C1.
What is the InChIKey of 1-(3-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,2-dimethylpropan-1-one?
The InChIKey is URBVXINTILSPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-12(2,3)11(16)15-6-8-4-9(13)5-14-10(8)7-15/h4-5H,6-7H2,1-3H3.
What are the key properties of 1-(3-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,2-dimethylpropan-1-one?
1-(3-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,2-dimethylpropan-1-one has a molecular weight of 238.72 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 126750368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).