methyl 4-fluoropyridine-3-carboxylate

C7H6FNO2 — CID 46311150

IUPACmethyl 4-fluoropyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1F
InChIInChI=1S/C7H6FNO2/c1-11-7(10)5-4-9-3-2-6(5)8/h2-4H,1H3
InChIKeyLNORHZUETHALBP-UHFFFAOYSA-N
MW155.13 g/mol
LogP1.01
Rot. Bonds1

About methyl 4-fluoropyridine-3-carboxylate

methyl 4-fluoropyridine-3-carboxylate (PubChem CID 46311150) has the molecular formula C7H6FNO2 and a molecular weight of 155.13 g/mol. Its IUPAC name is methyl 4-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-fluoropyridine-3-carboxylate
PubChem CID46311150
Molecular FormulaC7H6FNO2
Molecular Weight155.13 g/mol
Exact Mass155.04
IUPAC Namemethyl 4-fluoropyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1F
InChIInChI=1S/C7H6FNO2/c1-11-7(10)5-4-9-3-2-6(5)8/h2-4H,1H3
InChIKeyLNORHZUETHALBP-UHFFFAOYSA-N
XLogP1.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.13
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methylpyridine-3-carboxylate
CID 10877301
4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 172512860
methyl 4-(difluoromethyl)pyridine-3-carboxylate
CID 97181391
4-fluoropyridine-3-carboxylic acid
CID 2762936
methyl 3-carbonochloridoylpyridine-4-carboxylate;hydrochloride
CID 88617430
methyl 3-chloropyridine-4-carboxylate
CID 15324397
methyl 6-fluoroisoquinoline-8-carboxylate
CID 122163275
methyl 4-(4-chloro-2-fluorophenyl)pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate
CID 118278250
methyl 4-(2-aminoethylamino)pyridine-3-carboxylate
CID 83830923
methyl 4-propan-2-yloxypyridine-3-carboxylate
CID 132587581
methyl 3-[(4-fluorophenyl)methylamino]pyridine-4-carboxylate
CID 83322074
methyl 4,5-difluoro-2-pyridin-3-ylbenzoate
CID 46317415

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoropyridine-3-carboxylate?
The IUPAC name of methyl 4-fluoropyridine-3-carboxylate (CID 46311150) is methyl 4-fluoropyridine-3-carboxylate.
What is the SMILES notation for methyl 4-fluoropyridine-3-carboxylate?
The canonical SMILES for methyl 4-fluoropyridine-3-carboxylate is COC(=O)c1cnccc1F.
What is the InChIKey of methyl 4-fluoropyridine-3-carboxylate?
The InChIKey is LNORHZUETHALBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO2/c1-11-7(10)5-4-9-3-2-6(5)8/h2-4H,1H3.
What are the key properties of methyl 4-fluoropyridine-3-carboxylate?
methyl 4-fluoropyridine-3-carboxylate has a molecular weight of 155.13 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoropyridine-3-carboxylate is sourced from PubChem (CID 46311150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).