4,6-dichloro-2-[(1R)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one

C12H12Cl2N2O — CID 155194038

IUPAC4,6-dichloro-2-[(1R)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESC[C@H](C1CC1)N1Cc2cc(Cl)nc(Cl)c2C1=O
InChIInChI=1S/C12H12Cl2N2O/c1-6(7-2-3-7)16-5-8-4-9(13)15-11(14)10(8)12(16)17/h4,6-7H,2-3,5H2,1H3/t6-/m1/s1
InChIKeyHAGHTNWGLQULRN-ZCFIWIBFSA-N
MW271.15 g/mol
LogP3.14
Rot. Bonds2

About 4,6-dichloro-2-[(1R)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one

4,6-dichloro-2-[(1R)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 155194038) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 4,6-dichloro-2-[(1R)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name4,6-dichloro-2-[(1R)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one
PubChem CID155194038
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name4,6-dichloro-2-[(1R)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESC[C@H](C1CC1)N1Cc2cc(Cl)nc(Cl)c2C1=O
InChIInChI=1S/C12H12Cl2N2O/c1-6(7-2-3-7)16-5-8-4-9(13)15-11(14)10(8)12(16)17/h4,6-7H,2-3,5H2,1H3/t6-/m1/s1
InChIKeyHAGHTNWGLQULRN-ZCFIWIBFSA-N
XLogP3.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(1R)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 4,6-dichloro-2-[(1R)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one (CID 155194038) is 4,6-dichloro-2-[(1R)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 4,6-dichloro-2-[(1R)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 4,6-dichloro-2-[(1R)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one is C[C@H](C1CC1)N1Cc2cc(Cl)nc(Cl)c2C1=O.
What is the InChIKey of 4,6-dichloro-2-[(1R)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one?
The InChIKey is HAGHTNWGLQULRN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-6(7-2-3-7)16-5-8-4-9(13)15-11(14)10(8)12(16)17/h4,6-7H,2-3,5H2,1H3/t6-/m1/s1.
What are the key properties of 4,6-dichloro-2-[(1R)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one?
4,6-dichloro-2-[(1R)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 271.15 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(1R)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 155194038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).