ethyl 4-fluoro-5-methylpyridine-3-carboxylate

C9H10FNO2 — CID 130953044

IUPACethyl 4-fluoro-5-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(C)c1F
InChIInChI=1S/C9H10FNO2/c1-3-13-9(12)7-5-11-4-6(2)8(7)10/h4-5H,3H2,1-2H3
InChIKeyUHNDCXSYZMBPSG-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.71
Rot. Bonds2

About ethyl 4-fluoro-5-methylpyridine-3-carboxylate

ethyl 4-fluoro-5-methylpyridine-3-carboxylate (PubChem CID 130953044) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is ethyl 4-fluoro-5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluoro-5-methylpyridine-3-carboxylate
PubChem CID130953044
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Nameethyl 4-fluoro-5-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(C)c1F
InChIInChI=1S/C9H10FNO2/c1-3-13-9(12)7-5-11-4-6(2)8(7)10/h4-5H,3H2,1-2H3
InChIKeyUHNDCXSYZMBPSG-UHFFFAOYSA-N
XLogP1.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-methoxy-5-methylpyridine-3-carboxylate
CID 133096766
diethyl pyrimidine-4,5-dicarboxylate
CID 13000769
ethyl 3-hydroxy-5-methylpyridine-4-carboxylate
CID 131216125
ethyl 7-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylate
CID 133060055
ethyl 4-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 130098444
ethyl 2,3-difluoro-5-methylbenzoate
CID 122129684
ethyl 5-amino-4-cyanopyridine-3-carboxylate
CID 131116989
ethyl 3-methoxy-5-methylpyridine-4-carboxylate
CID 171030458
ethyl 3-bromo-5-fluoropyridine-4-carboxylate
CID 46311470
ethyl 4-(hydroxymethyl)pyridine-3-carboxylate
CID 112757154
ethyl 2,3-difluorobenzoate
CID 2761174
ethyl 4-amino-3-fluoro-2-methylbenzoate
CID 131583478

Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoro-5-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-fluoro-5-methylpyridine-3-carboxylate (CID 130953044) is ethyl 4-fluoro-5-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-fluoro-5-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-fluoro-5-methylpyridine-3-carboxylate is CCOC(=O)c1cncc(C)c1F.
What is the InChIKey of ethyl 4-fluoro-5-methylpyridine-3-carboxylate?
The InChIKey is UHNDCXSYZMBPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-3-13-9(12)7-5-11-4-6(2)8(7)10/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 4-fluoro-5-methylpyridine-3-carboxylate?
ethyl 4-fluoro-5-methylpyridine-3-carboxylate has a molecular weight of 183.18 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoro-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 130953044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).