3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide

C15H12Cl2N2O — CID 104693580

IUPAC3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2N2O/c16-12-5-6-13(17)19-14(12)15(20)18-11-7-9-3-1-2-4-10(9)8-11/h1-6,11H,7-8H2,(H,18,20)
InChIKeyCREGZCYYAFLXBR-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.29
Rot. Bonds2

About 3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide

3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide (PubChem CID 104693580) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide
PubChem CID104693580
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2N2O/c16-12-5-6-13(17)19-14(12)15(20)18-11-7-9-3-1-2-4-10(9)8-11/h1-6,11H,7-8H2,(H,18,20)
InChIKeyCREGZCYYAFLXBR-UHFFFAOYSA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.29
H-Bond Donors ≤ 51
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 3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide (CID 104693580) is 3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide is O=C(NC1Cc2ccccc2C1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide?
The InChIKey is CREGZCYYAFLXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c16-12-5-6-13(17)19-14(12)15(20)18-11-7-9-3-1-2-4-10(9)8-11/h1-6,11H,7-8H2,(H,18,20).
What are the key properties of 3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide?
3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide has a molecular weight of 307.18 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 104693580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).