N-(2,5-dichloro-3-pyridinyl)pyridine-2-carboxamide

C11H7Cl2N3O — CID 127040745

IUPACN-(2,5-dichloro-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(Cl)cnc1Cl)c1ccccn1
InChIInChI=1S/C11H7Cl2N3O/c12-7-5-9(10(13)15-6-7)16-11(17)8-3-1-2-4-14-8/h1-6H,(H,16,17)
InChIKeyDKLAUWVWBCJSIV-UHFFFAOYSA-N
MW268.10 g/mol
LogP3.04
Rot. Bonds2

About N-(2,5-dichloro-3-pyridinyl)pyridine-2-carboxamide

N-(2,5-dichloro-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 127040745) has the molecular formula C11H7Cl2N3O and a molecular weight of 268.10 g/mol. Its IUPAC name is N-(2,5-dichloro-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichloro-3-pyridinyl)pyridine-2-carboxamide
PubChem CID127040745
Molecular FormulaC11H7Cl2N3O
Molecular Weight268.10 g/mol
Exact Mass267.00
IUPAC NameN-(2,5-dichloro-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(Cl)cnc1Cl)c1ccccn1
InChIInChI=1S/C11H7Cl2N3O/c12-7-5-9(10(13)15-6-7)16-11(17)8-3-1-2-4-14-8/h1-6H,(H,16,17)
InChIKeyDKLAUWVWBCJSIV-UHFFFAOYSA-N
XLogP3.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(2,5-dichloro-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of N-(2,5-dichloro-3-pyridinyl)pyridine-2-carboxamide (CID 127040745) is N-(2,5-dichloro-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,5-dichloro-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,5-dichloro-3-pyridinyl)pyridine-2-carboxamide is O=C(Nc1cc(Cl)cnc1Cl)c1ccccn1.
What is the InChIKey of N-(2,5-dichloro-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is DKLAUWVWBCJSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O/c12-7-5-9(10(13)15-6-7)16-11(17)8-3-1-2-4-14-8/h1-6H,(H,16,17).
What are the key properties of N-(2,5-dichloro-3-pyridinyl)pyridine-2-carboxamide?
N-(2,5-dichloro-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 268.10 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 127040745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).