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

C14H12Cl2N2O3 — CID 673519

IUPAC2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2Cl)c(OC)cc1Cl
InChIInChI=1S/C14H12Cl2N2O3/c1-20-11-7-10(12(21-2)6-9(11)15)18-14(19)8-4-3-5-17-13(8)16/h3-7H,1-2H3,(H,18,19)
InChIKeyKLARMURZQABKGK-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.66
Rot. Bonds4

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

2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 673519) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
PubChem CID673519
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2Cl)c(OC)cc1Cl
InChIInChI=1S/C14H12Cl2N2O3/c1-20-11-7-10(12(21-2)6-9(11)15)18-14(19)8-4-3-5-17-13(8)16/h3-7H,1-2H3,(H,18,19)
InChIKeyKLARMURZQABKGK-UHFFFAOYSA-N
XLogP3.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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CID 44191096
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CID 532822
2-Chloro-N-(4-methoxyphenyl)-3-pyridinecarboxamide
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CID 767774
N-(4-Chloro-2,5-dimethoxy-phenyl)-3-[(pyridine-2-carbonyl)-hydrazono]-butyramide
CID 9591971
N-[4-(2-Chloro-benzoylamino)-3-methoxy-phenyl]-nicotinamide
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Cambridge id 5528777
CID 1367983
[(5-Chloro-2-methoxyphenyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate
CID 2592239
2,4,5,6-tetrachloro-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 1046217

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide (CID 673519) is 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide is COc1cc(NC(=O)c2cccnc2Cl)c(OC)cc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is KLARMURZQABKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-20-11-7-10(12(21-2)6-9(11)15)18-14(19)8-4-3-5-17-13(8)16/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide?
2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 327.17 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 673519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).