5-chloro-3-fluoro-N-methoxy-N-methylpyridine-2-carboxamide

C8H8ClFN2O2 — CID 86715759

IUPAC5-chloro-3-fluoro-N-methoxy-N-methylpyridine-2-carboxamide
SMILESCON(C)C(=O)c1ncc(Cl)cc1F
InChIInChI=1S/C8H8ClFN2O2/c1-12(14-2)8(13)7-6(10)3-5(9)4-11-7/h3-4H,1-2H3
InChIKeyWRTBJZHHABIUEJ-UHFFFAOYSA-N
MW218.62 g/mol
LogP1.51
Rot. Bonds2

About 5-chloro-3-fluoro-N-methoxy-N-methylpyridine-2-carboxamide

5-chloro-3-fluoro-N-methoxy-N-methylpyridine-2-carboxamide (PubChem CID 86715759) has the molecular formula C8H8ClFN2O2 and a molecular weight of 218.62 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-methoxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-methoxy-N-methylpyridine-2-carboxamide
PubChem CID86715759
Molecular FormulaC8H8ClFN2O2
Molecular Weight218.62 g/mol
Exact Mass218.03
IUPAC Name5-chloro-3-fluoro-N-methoxy-N-methylpyridine-2-carboxamide
SMILESCON(C)C(=O)c1ncc(Cl)cc1F
InChIInChI=1S/C8H8ClFN2O2/c1-12(14-2)8(13)7-6(10)3-5(9)4-11-7/h3-4H,1-2H3
InChIKeyWRTBJZHHABIUEJ-UHFFFAOYSA-N
XLogP1.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.62
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-fluoro-N-methoxy-N-methylpyridine-2-carboxamide
CID 133054949
5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide
CID 133061431
methyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate
CID 79734650
3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide
CID 145439185
methyl 3-(5-chloro-3-fluoro-2-pyridinyl)prop-2-enoate
CID 169478798
6,7-difluoro-N-methoxy-N-methylquinoline-3-carboxamide
CID 134393289
4-chloro-N-methoxy-N-methylquinoline-3-carboxamide
CID 86709600
3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 60644776
1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 79727906
4-chloro-N-methoxy-N-methyl-2-(trifluoromethyl)benzamide
CID 162570663
5-bromo-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide
CID 121320697
3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 86666725

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-methoxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-chloro-3-fluoro-N-methoxy-N-methylpyridine-2-carboxamide (CID 86715759) is 5-chloro-3-fluoro-N-methoxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-3-fluoro-N-methoxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-chloro-3-fluoro-N-methoxy-N-methylpyridine-2-carboxamide is CON(C)C(=O)c1ncc(Cl)cc1F.
What is the InChIKey of 5-chloro-3-fluoro-N-methoxy-N-methylpyridine-2-carboxamide?
The InChIKey is WRTBJZHHABIUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O2/c1-12(14-2)8(13)7-6(10)3-5(9)4-11-7/h3-4H,1-2H3.
What are the key properties of 5-chloro-3-fluoro-N-methoxy-N-methylpyridine-2-carboxamide?
5-chloro-3-fluoro-N-methoxy-N-methylpyridine-2-carboxamide has a molecular weight of 218.62 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-methoxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 86715759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).