2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide

C11H6Cl3N3O — CID 113227258

IUPAC2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H6Cl3N3O/c12-6-1-4-9(15-5-6)17-11(18)7-2-3-8(13)16-10(7)14/h1-5H,(H,15,17,18)
InChIKeySEYXZRTYDUSFTK-UHFFFAOYSA-N
MW302.55 g/mol
LogP3.69
Rot. Bonds2

About 2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide

2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 113227258) has the molecular formula C11H6Cl3N3O and a molecular weight of 302.55 g/mol. Its IUPAC name is 2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide
PubChem CID113227258
Molecular FormulaC11H6Cl3N3O
Molecular Weight302.55 g/mol
Exact Mass300.96
IUPAC Name2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H6Cl3N3O/c12-6-1-4-9(15-5-6)17-11(18)7-2-3-8(13)16-10(7)14/h1-5H,(H,15,17,18)
InChIKeySEYXZRTYDUSFTK-UHFFFAOYSA-N
XLogP3.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.55
LogP ≤ 53.69
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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Related Compounds

4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
2-N,6-N-bis(5-chloro-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 3421113
2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 52762530
2-bromo-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 103611566
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
2-N-(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 131737247
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103715596
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
5-chloro-N-(5-chloro-2-pyridinyl)-2-hydrazinylbenzamide
CID 55051225
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 102979453

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide (CID 113227258) is 2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cn1)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide?
The InChIKey is SEYXZRTYDUSFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3N3O/c12-6-1-4-9(15-5-6)17-11(18)7-2-3-8(13)16-10(7)14/h1-5H,(H,15,17,18).
What are the key properties of 2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide?
2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide has a molecular weight of 302.55 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 113227258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).