5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide

C14H11Cl2FN2O — CID 60628265

IUPAC5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2FN2O/c1-19(8-9-4-2-3-5-12(9)17)14(20)10-6-11(15)13(16)18-7-10/h2-7H,8H2,1H3
InChIKeyUIEHEDADZJFQQZ-UHFFFAOYSA-N
MW313.16 g/mol
LogP3.80
Rot. Bonds3

About 5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide

5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 60628265) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID60628265
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2FN2O/c1-19(8-9-4-2-3-5-12(9)17)14(20)10-6-11(15)13(16)18-7-10/h2-7H,8H2,1H3
InChIKeyUIEHEDADZJFQQZ-UHFFFAOYSA-N
XLogP3.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 60692943
N-[(2-fluorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 134057045
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 43564503
4-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81226236
2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78768857
(2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate
CID 3288046
5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631233
5,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 43396646
5-chloro-6-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 62249151
N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 4780408

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide (CID 60628265) is 5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide is CN(Cc1ccccc1F)C(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is UIEHEDADZJFQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c1-19(8-9-4-2-3-5-12(9)17)14(20)10-6-11(15)13(16)18-7-10/h2-7H,8H2,1H3.
What are the key properties of 5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 313.16 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 60628265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).