2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide

C11H6Cl3N3O — CID 102610397

IUPAC2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide
SMILESO=C(Nc1ncccc1Cl)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H6Cl3N3O/c12-7-2-1-3-15-10(7)17-11(18)6-4-9(14)16-5-8(6)13/h1-5H,(H,15,17,18)
InChIKeyWNSAVOHFEZJWNT-UHFFFAOYSA-N
MW302.55 g/mol
LogP3.69
Rot. Bonds2

About 2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide

2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide (PubChem CID 102610397) has the molecular formula C11H6Cl3N3O and a molecular weight of 302.55 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide
PubChem CID102610397
Molecular FormulaC11H6Cl3N3O
Molecular Weight302.55 g/mol
Exact Mass300.96
IUPAC Name2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide
SMILESO=C(Nc1ncccc1Cl)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H6Cl3N3O/c12-7-2-1-3-15-10(7)17-11(18)6-4-9(14)16-5-8(6)13/h1-5H,(H,15,17,18)
InChIKeyWNSAVOHFEZJWNT-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

5-chloro-N-(3-chloro-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 103094800
N-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide
CID 102610051
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
5-acetamido-2-chloro-N-(3-chloro-2-pyridinyl)benzamide
CID 86783432
N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide
CID 103892998
2-bromo-N-(3-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103893012
N-(3-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
CID 103892932
N-[4-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917802
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103943460
N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917801
methyl N-(3-chloro-2-pyridinyl)carbamate
CID 103094493
N-(3-chloro-2-pyridinyl)-2-methoxy-5-methylbenzamide
CID 113356136

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide (CID 102610397) is 2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide is O=C(Nc1ncccc1Cl)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide?
The InChIKey is WNSAVOHFEZJWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3N3O/c12-7-2-1-3-15-10(7)17-11(18)6-4-9(14)16-5-8(6)13/h1-5H,(H,15,17,18).
What are the key properties of 2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide?
2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-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 2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 102610397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).