2-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-6-methoxypyridine-4-carboxamide

C14H10Cl2F2N2O3 — CID 166563677

IUPAC2-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-6-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc(Cl)n1
InChIInChI=1S/C14H10Cl2F2N2O3/c1-22-12-7-8(6-11(15)20-12)13(21)19-9-2-4-10(5-3-9)23-14(16,17)18/h2-7H,1H3,(H,19,21)
InChIKeyBPWRZPQTAYIOIX-UHFFFAOYSA-N
MW363.15 g/mol
LogP4.16
Rot. Bonds5

About 2-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-6-methoxypyridine-4-carboxamide

2-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-6-methoxypyridine-4-carboxamide (PubChem CID 166563677) has the molecular formula C14H10Cl2F2N2O3 and a molecular weight of 363.15 g/mol. Its IUPAC name is 2-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-6-methoxypyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-6-methoxypyridine-4-carboxamide
PubChem CID166563677
Molecular FormulaC14H10Cl2F2N2O3
Molecular Weight363.15 g/mol
Exact Mass362.00
IUPAC Name2-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-6-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc(Cl)n1
InChIInChI=1S/C14H10Cl2F2N2O3/c1-22-12-7-8(6-11(15)20-12)13(21)19-9-2-4-10(5-3-9)23-14(16,17)18/h2-7H,1H3,(H,19,21)
InChIKeyBPWRZPQTAYIOIX-UHFFFAOYSA-N
XLogP4.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.15
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-methoxy-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 84580985
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 26289080
N-[4-[chloro(difluoro)methoxy]phenyl]-5,6-dimethylpyridine-3-carboxamide
CID 145388893
6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-ethylpyridine-3-carboxamide
CID 123668156
2-chloro-6-(ethylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 62171252
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate
CID 26098317
N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide
CID 176956183
2-chloro-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 84575899
7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide
CID 146458658
N-[4-[chloro(difluoro)methoxy]phenyl]-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide
CID 604624
methyl (4R)-8-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-6-carboxylate
CID 146458734

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-6-methoxypyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-6-methoxypyridine-4-carboxamide (CID 166563677) is 2-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-6-methoxypyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-6-methoxypyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-6-methoxypyridine-4-carboxamide is COc1cc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-6-methoxypyridine-4-carboxamide?
The InChIKey is BPWRZPQTAYIOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2N2O3/c1-22-12-7-8(6-11(15)20-12)13(21)19-9-2-4-10(5-3-9)23-14(16,17)18/h2-7H,1H3,(H,19,21).
What are the key properties of 2-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-6-methoxypyridine-4-carboxamide?
2-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-6-methoxypyridine-4-carboxamide has a molecular weight of 363.15 g/mol, XLogP of 4.16, 5 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(difluoro)methoxy]phenyl]-6-methoxypyridine-4-carboxamide is sourced from PubChem (CID 166563677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).