2,5-dichloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide

C14H11Cl2FN2O — CID 1266539

IUPAC2,5-dichloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1nc(Cl)c(C(=O)Nc2cccc(F)c2)c(C)c1Cl
InChIInChI=1S/C14H11Cl2FN2O/c1-7-11(13(16)18-8(2)12(7)15)14(20)19-10-5-3-4-9(17)6-10/h3-6H,1-2H3,(H,19,20)
InChIKeyPTVCEVZPEVJFJM-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.40
Rot. Bonds2

About 2,5-dichloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide

2,5-dichloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 1266539) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide
PubChem CID1266539
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name2,5-dichloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1nc(Cl)c(C(=O)Nc2cccc(F)c2)c(C)c1Cl
InChIInChI=1S/C14H11Cl2FN2O/c1-7-11(13(16)18-8(2)12(7)15)14(20)19-10-5-3-4-9(17)6-10/h3-6H,1-2H3,(H,19,20)
InChIKeyPTVCEVZPEVJFJM-UHFFFAOYSA-N
XLogP4.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 597857
CID 597857
CID 778137
CID 778137
CID 2795899
CID 2795899
CID 3765547
CID 3765547
CID 597845
CID 597845
CID 3956566
CID 3956566
CID 701019
CID 701019
CID 764200
CID 764200
CID 45485735
CID 45485735
CID 1266530
CID 1266530
CID 1266535
CID 1266535
CID 1266538
CID 1266538

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide (CID 1266539) is 2,5-dichloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide is Cc1nc(Cl)c(C(=O)Nc2cccc(F)c2)c(C)c1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is PTVCEVZPEVJFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c1-7-11(13(16)18-8(2)12(7)15)14(20)19-10-5-3-4-9(17)6-10/h3-6H,1-2H3,(H,19,20).
What are the key properties of 2,5-dichloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide?
2,5-dichloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 313.16 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 1266539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).