2,6-dichloro-5-fluoro-N-(4-phenoxyphenyl)pyridine-3-carboxamide

C18H11Cl2FN2O2 — CID 985601

IUPAC2,6-dichloro-5-fluoro-N-(4-phenoxyphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C18H11Cl2FN2O2/c19-16-14(10-15(21)17(20)23-16)18(24)22-11-6-8-13(9-7-11)25-12-4-2-1-3-5-12/h1-10H,(H,22,24)
InChIKeyBCKWVRZWXPNVRX-UHFFFAOYSA-N
MW377.20 g/mol
LogP5.57
Rot. Bonds4

About 2,6-dichloro-5-fluoro-N-(4-phenoxyphenyl)pyridine-3-carboxamide

2,6-dichloro-5-fluoro-N-(4-phenoxyphenyl)pyridine-3-carboxamide (PubChem CID 985601) has the molecular formula C18H11Cl2FN2O2 and a molecular weight of 377.20 g/mol. Its IUPAC name is 2,6-dichloro-5-fluoro-N-(4-phenoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-5-fluoro-N-(4-phenoxyphenyl)pyridine-3-carboxamide
PubChem CID985601
Molecular FormulaC18H11Cl2FN2O2
Molecular Weight377.20 g/mol
Exact Mass376.02
IUPAC Name2,6-dichloro-5-fluoro-N-(4-phenoxyphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C18H11Cl2FN2O2/c19-16-14(10-15(21)17(20)23-16)18(24)22-11-6-8-13(9-7-11)25-12-4-2-1-3-5-12/h1-10H,(H,22,24)
InChIKeyBCKWVRZWXPNVRX-UHFFFAOYSA-N
XLogP5.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.20
LogP ≤ 55.57
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-Chloro-N-(4-methoxyphenyl)-3-pyridinecarboxamide
CID 840301
N-[4-(2-Chloro-benzyloxy)-phenyl]-nicotinamide
CID 803928
N-(4-phenoxyphenyl)nicotinamide
CID 821544
2-Chloro-5'-fluoro-N-(4-(trifluoromethoxy)phenyl)-[3,3'-bipyridine]-5-carboxamide
CID 72201586
2-Chloro-N-(4-(chlorodifluoromethoxy)phenyl)-5'-fluoro-[3,3'-bipyridine]-5-carboxamide
CID 72201587
N-[4-(4-Chloro-phenoxy)-3-trifluoromethyl-phenyl]-nicotinamide
CID 1273941
6-chloro-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 1483269
3-Pyridinecarboxamide, N-[4-(nonafluorobutoxy)phenyl]-
CID 4144064
N-(4-(perfluorobutoxy)phenyl)nicotinamide hydrochloride
CID 12328725
2,4,5,6-tetrachloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 1044959
Ethyl 2,5,6-trichloro-4-{[4-(trifluoromethoxy)phenyl]amino}pyridine-3-carboxylate
CID 633393
N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyridine-3-carboxamide
CID 154695924

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5-fluoro-N-(4-phenoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-5-fluoro-N-(4-phenoxyphenyl)pyridine-3-carboxamide (CID 985601) is 2,6-dichloro-5-fluoro-N-(4-phenoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-5-fluoro-N-(4-phenoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-5-fluoro-N-(4-phenoxyphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(F)c(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-5-fluoro-N-(4-phenoxyphenyl)pyridine-3-carboxamide?
The InChIKey is BCKWVRZWXPNVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2FN2O2/c19-16-14(10-15(21)17(20)23-16)18(24)22-11-6-8-13(9-7-11)25-12-4-2-1-3-5-12/h1-10H,(H,22,24).
What are the key properties of 2,6-dichloro-5-fluoro-N-(4-phenoxyphenyl)pyridine-3-carboxamide?
2,6-dichloro-5-fluoro-N-(4-phenoxyphenyl)pyridine-3-carboxamide has a molecular weight of 377.20 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-5-fluoro-N-(4-phenoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 985601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).