methyl 5-chloro-3-(6-fluoro-2-pyridinyl)-1H-pyrazole-4-carboxylate

C10H7ClFN3O2 — CID 23055536

IUPACmethyl 5-chloro-3-(6-fluoro-2-pyridinyl)-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1c(-c2cccc(F)n2)n[nH]c1Cl
InChIInChI=1S/C10H7ClFN3O2/c1-17-10(16)7-8(14-15-9(7)11)5-3-2-4-6(12)13-5/h2-4H,1H3,(H,14,15)
InChIKeyFWYJKAVSOFKRPC-UHFFFAOYSA-N
MW255.64 g/mol
LogP2.05
Rot. Bonds2

About methyl 5-chloro-3-(6-fluoro-2-pyridinyl)-1H-pyrazole-4-carboxylate

methyl 5-chloro-3-(6-fluoro-2-pyridinyl)-1H-pyrazole-4-carboxylate (PubChem CID 23055536) has the molecular formula C10H7ClFN3O2 and a molecular weight of 255.64 g/mol. Its IUPAC name is methyl 5-chloro-3-(6-fluoro-2-pyridinyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-3-(6-fluoro-2-pyridinyl)-1H-pyrazole-4-carboxylate
PubChem CID23055536
Molecular FormulaC10H7ClFN3O2
Molecular Weight255.64 g/mol
Exact Mass255.02
IUPAC Namemethyl 5-chloro-3-(6-fluoro-2-pyridinyl)-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1c(-c2cccc(F)n2)n[nH]c1Cl
InChIInChI=1S/C10H7ClFN3O2/c1-17-10(16)7-8(14-15-9(7)11)5-3-2-4-6(12)13-5/h2-4H,1H3,(H,14,15)
InChIKeyFWYJKAVSOFKRPC-UHFFFAOYSA-N
XLogP2.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.64
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(6-fluoro-2-pyridinyl)-5-sulfamoyl-1H-pyrazole-4-carboxylate
CID 70473258
methyl 2-bromo-6-(6-bromo-2-pyridinyl)-3,5-dimethylpyridine-4-carboxylate
CID 141495148
methyl 3-chloro-5-methyl-2H-indazole-4-carboxylate
CID 154728236
methyl 3-(2-chlorobenzoyl)-5-methyl-1H-pyrazole-4-carboxylate
CID 70433022
2-(3,5-dichlorophenyl)-6-fluoropyridine
CID 118808261
methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate
CID 22260721
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115496994
methyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carboxylate
CID 2744662
methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
CID 2753080
methyl 2-fluoro-6-(2,3,4,5,6-pentachlorophenyl)benzoate
CID 134635064
methyl 2-chloro-6-prop-1-en-2-ylbenzoate
CID 129080595

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-3-(6-fluoro-2-pyridinyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of methyl 5-chloro-3-(6-fluoro-2-pyridinyl)-1H-pyrazole-4-carboxylate (CID 23055536) is methyl 5-chloro-3-(6-fluoro-2-pyridinyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-chloro-3-(6-fluoro-2-pyridinyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-chloro-3-(6-fluoro-2-pyridinyl)-1H-pyrazole-4-carboxylate is COC(=O)c1c(-c2cccc(F)n2)n[nH]c1Cl.
What is the InChIKey of methyl 5-chloro-3-(6-fluoro-2-pyridinyl)-1H-pyrazole-4-carboxylate?
The InChIKey is FWYJKAVSOFKRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O2/c1-17-10(16)7-8(14-15-9(7)11)5-3-2-4-6(12)13-5/h2-4H,1H3,(H,14,15).
What are the key properties of methyl 5-chloro-3-(6-fluoro-2-pyridinyl)-1H-pyrazole-4-carboxylate?
methyl 5-chloro-3-(6-fluoro-2-pyridinyl)-1H-pyrazole-4-carboxylate has a molecular weight of 255.64 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-3-(6-fluoro-2-pyridinyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 23055536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).