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

C7H6ClFN2O — CID 103893144

IUPAC2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C7H6ClFN2O/c1-10-7(12)5-2-4(9)3-11-6(5)8/h2-3H,1H3,(H,10,12)
InChIKeyKGQQWMISRAMNCX-UHFFFAOYSA-N
MW188.59 g/mol
LogP1.23
Rot. Bonds1

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

2-chloro-5-fluoro-N-methylpyridine-3-carboxamide (PubChem CID 103893144) has the molecular formula C7H6ClFN2O and a molecular weight of 188.59 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
PubChem CID103893144
Molecular FormulaC7H6ClFN2O
Molecular Weight188.59 g/mol
Exact Mass188.02
IUPAC Name2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C7H6ClFN2O/c1-10-7(12)5-2-4(9)3-11-6(5)8/h2-3H,1H3,(H,10,12)
InChIKeyKGQQWMISRAMNCX-UHFFFAOYSA-N
XLogP1.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.59
LogP ≤ 51.23
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

2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 103891263
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide
CID 103892511
N-[(4-tert-butylphenyl)methyl]-2-chloro-5-fluoropyridine-3-carboxamide
CID 141112044
2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide
CID 103893182
N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757101
2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 103892342
2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 103891962
2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide
CID 103891458
2-chloro-N-(4-cyanophenyl)-5-fluoropyridine-3-carboxamide
CID 103893052
2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 113347090
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-methylpyridine-3-carboxamide (CID 103893144) is 2-chloro-5-fluoro-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-methylpyridine-3-carboxamide is CNC(=O)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-methylpyridine-3-carboxamide?
The InChIKey is KGQQWMISRAMNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN2O/c1-10-7(12)5-2-4(9)3-11-6(5)8/h2-3H,1H3,(H,10,12).
What are the key properties of 2-chloro-5-fluoro-N-methylpyridine-3-carboxamide?
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide has a molecular weight of 188.59 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 103893144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).