ethyl 2-fluoropyrimidine-5-carboxylate

C7H7FN2O2 — CID 130786952

IUPACethyl 2-fluoropyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(F)nc1
InChIInChI=1S/C7H7FN2O2/c1-2-12-6(11)5-3-9-7(8)10-4-5/h3-4H,2H2,1H3
InChIKeyXLPNZXCMPWYMSZ-UHFFFAOYSA-N
MW170.14 g/mol
LogP0.79
Rot. Bonds2

About ethyl 2-fluoropyrimidine-5-carboxylate

ethyl 2-fluoropyrimidine-5-carboxylate (PubChem CID 130786952) has the molecular formula C7H7FN2O2 and a molecular weight of 170.14 g/mol. Its IUPAC name is ethyl 2-fluoropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-fluoropyrimidine-5-carboxylate
PubChem CID130786952
Molecular FormulaC7H7FN2O2
Molecular Weight170.14 g/mol
Exact Mass170.05
IUPAC Nameethyl 2-fluoropyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(F)nc1
InChIInChI=1S/C7H7FN2O2/c1-2-12-6(11)5-3-9-7(8)10-4-5/h3-4H,2H2,1H3
InChIKeyXLPNZXCMPWYMSZ-UHFFFAOYSA-N
XLogP0.79
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine-5-carboxylic acid
CID 78346
5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester
CID 222666
Ethyl 4-amino-2-methylpyrimidine-5-carboxylate
CID 231662
2-aminopyrimidine-5-carboxylic Acid
CID 7020367
Ethyl 5-pyrimidinecarboxylate
CID 4223810
Ethyl 2,4-diaminopyrimidine-5-carboxylate
CID 222669
Ethyl 2-aminopyrimidine-5-carboxylate
CID 295889
2-Methoxypyrimidine-5-carboxylic acid
CID 6486618
2-Methoxypyrimidine-5-carboxaldehyde
CID 3151866
Methyl pyrimidine-5-carboxylate
CID 253902
Ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate
CID 248642
2-Dimethylamino-pyrimidine-5-carboxylic acid
CID 255081

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoropyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-fluoropyrimidine-5-carboxylate (CID 130786952) is ethyl 2-fluoropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-fluoropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-fluoropyrimidine-5-carboxylate is CCOC(=O)c1cnc(F)nc1.
What is the InChIKey of ethyl 2-fluoropyrimidine-5-carboxylate?
The InChIKey is XLPNZXCMPWYMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2/c1-2-12-6(11)5-3-9-7(8)10-4-5/h3-4H,2H2,1H3.
What are the key properties of ethyl 2-fluoropyrimidine-5-carboxylate?
ethyl 2-fluoropyrimidine-5-carboxylate has a molecular weight of 170.14 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoropyrimidine-5-carboxylate is sourced from PubChem (CID 130786952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).