2,5-dichloro-N-(4-fluoro-2-methoxyphenyl)pyridine-4-carboxamide

C13H9Cl2FN2O2 — CID 114918264

IUPAC2,5-dichloro-N-(4-fluoro-2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C13H9Cl2FN2O2/c1-20-11-4-7(16)2-3-10(11)18-13(19)8-5-12(15)17-6-9(8)14/h2-6H,1H3,(H,18,19)
InChIKeyIWSKLXGNXKCRIL-UHFFFAOYSA-N
MW315.13 g/mol
LogP3.79
Rot. Bonds3

About 2,5-dichloro-N-(4-fluoro-2-methoxyphenyl)pyridine-4-carboxamide

2,5-dichloro-N-(4-fluoro-2-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 114918264) has the molecular formula C13H9Cl2FN2O2 and a molecular weight of 315.13 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-fluoro-2-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-fluoro-2-methoxyphenyl)pyridine-4-carboxamide
PubChem CID114918264
Molecular FormulaC13H9Cl2FN2O2
Molecular Weight315.13 g/mol
Exact Mass314.00
IUPAC Name2,5-dichloro-N-(4-fluoro-2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C13H9Cl2FN2O2/c1-20-11-4-7(16)2-3-10(11)18-13(19)8-5-12(15)17-6-9(8)14/h2-6H,1H3,(H,18,19)
InChIKeyIWSKLXGNXKCRIL-UHFFFAOYSA-N
XLogP3.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 53.79
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

2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 114917077
4-chloro-N-(4-fluoro-2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81227053
5-chloro-N-(4-fluoro-2-methoxyphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62175694
5-amino-N-(4-fluoro-2-methoxyphenyl)pyridine-2-carboxamide
CID 81317431
2-bromo-4-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 103763825
2-amino-4-fluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63110567
2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 114917038
5-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)pyridine-2-carboxamide
CID 63724738
3-amino-2-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 115930471
N-(4-fluoro-2-methoxyphenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107377845
N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114344130
3-fluoro-N-(4-fluoro-2-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 105388058

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-fluoro-2-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(4-fluoro-2-methoxyphenyl)pyridine-4-carboxamide (CID 114918264) is 2,5-dichloro-N-(4-fluoro-2-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(4-fluoro-2-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(4-fluoro-2-methoxyphenyl)pyridine-4-carboxamide is COc1cc(F)ccc1NC(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-fluoro-2-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is IWSKLXGNXKCRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O2/c1-20-11-4-7(16)2-3-10(11)18-13(19)8-5-12(15)17-6-9(8)14/h2-6H,1H3,(H,18,19).
What are the key properties of 2,5-dichloro-N-(4-fluoro-2-methoxyphenyl)pyridine-4-carboxamide?
2,5-dichloro-N-(4-fluoro-2-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 315.13 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-fluoro-2-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114918264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).