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

C11H6Cl3N3O — CID 78929855

IUPAC3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H6Cl3N3O/c12-7-2-4-9(14)17-10(7)11(18)16-6-1-3-8(13)15-5-6/h1-5H,(H,16,18)
InChIKeyKOQAHNWQPMIELO-UHFFFAOYSA-N
MW302.55 g/mol
LogP3.69
Rot. Bonds2

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

3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 78929855) has the molecular formula C11H6Cl3N3O and a molecular weight of 302.55 g/mol. Its IUPAC name is 3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide
PubChem CID78929855
Molecular FormulaC11H6Cl3N3O
Molecular Weight302.55 g/mol
Exact Mass300.96
IUPAC Name3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H6Cl3N3O/c12-7-2-4-9(14)17-10(7)11(18)16-6-1-3-8(13)15-5-6/h1-5H,(H,16,18)
InChIKeyKOQAHNWQPMIELO-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-[(3,6-dichloropyridine-2-carbonyl)amino]benzoic acid
CID 45426688
3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide
CID 26719883
3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39353282
3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide
CID 26718791
3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 26408797
6-chloro-N-(6-chloro-3-pyridinyl)pyrazine-2-carboxamide
CID 103186985
2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113247998
3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 60912008
N-[4-(2-amino-2-oxoethyl)phenyl]-3,6-dichloropyridine-2-carboxamide
CID 39280839
3,6-dichloro-N-(3-hydroxyphenyl)pyridine-2-carboxamide
CID 60692218
3-bromo-4-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113329917
3,6-dichloro-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 26719813

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide (CID 78929855) is 3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide is O=C(Nc1ccc(Cl)nc1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is KOQAHNWQPMIELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3N3O/c12-7-2-4-9(14)17-10(7)11(18)16-6-1-3-8(13)15-5-6/h1-5H,(H,16,18).
What are the key properties of 3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide?
3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-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 3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 78929855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).