ethyl 2-(fluoromethyl)pyridine-4-carboxylate

C9H10FNO2 — CID 75530092

IUPACethyl 2-(fluoromethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(CF)c1
InChIInChI=1S/C9H10FNO2/c1-2-13-9(12)7-3-4-11-8(5-7)6-10/h3-5H,2,6H2,1H3
InChIKeyAVDJSYVAJRQUNI-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.73
Rot. Bonds3

About ethyl 2-(fluoromethyl)pyridine-4-carboxylate

ethyl 2-(fluoromethyl)pyridine-4-carboxylate (PubChem CID 75530092) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is ethyl 2-(fluoromethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(fluoromethyl)pyridine-4-carboxylate
PubChem CID75530092
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Nameethyl 2-(fluoromethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(CF)c1
InChIInChI=1S/C9H10FNO2/c1-2-13-9(12)7-3-4-11-8(5-7)6-10/h3-5H,2,6H2,1H3
InChIKeyAVDJSYVAJRQUNI-UHFFFAOYSA-N
XLogP1.73
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyridine-4-carboxylate
CID 58077318
ethyl 2-[[2-[1-[(4-ethoxycarbonyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine-4-carboxylate
CID 102228605
ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate
CID 122378001
ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
CID 122554521
ethane;methyl 2-ethylpyridine-4-carboxylate
CID 144656237
ethyl 2-[amino-(hydroxyamino)methyl]pyridine-4-carboxylate
CID 139997586
ethyl 2,6-bis(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;trichlororuthenium
CID 145155892
octyl 2-(aminomethyl)pyridine-4-carboxylate
CID 114325028
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
CID 2762483
tert-butyl 2-(aminomethyl)pyridine-4-carboxylate
CID 114325005
ethyl 4-ethoxyquinoline-7-carboxylate
CID 91667888

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(fluoromethyl)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-(fluoromethyl)pyridine-4-carboxylate (CID 75530092) is ethyl 2-(fluoromethyl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(fluoromethyl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(fluoromethyl)pyridine-4-carboxylate is CCOC(=O)c1ccnc(CF)c1.
What is the InChIKey of ethyl 2-(fluoromethyl)pyridine-4-carboxylate?
The InChIKey is AVDJSYVAJRQUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-2-13-9(12)7-3-4-11-8(5-7)6-10/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(fluoromethyl)pyridine-4-carboxylate?
ethyl 2-(fluoromethyl)pyridine-4-carboxylate has a molecular weight of 183.18 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(fluoromethyl)pyridine-4-carboxylate is sourced from PubChem (CID 75530092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).