ethyl 1-(4-fluorophenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate

C17H14FN3O2 — CID 10638760

IUPACethyl 1-(4-fluorophenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cc2ccccn2/c(=N/c2ccc(F)cc2)n1
InChIInChI=1S/C17H14FN3O2/c1-2-23-16(22)15-11-14-5-3-4-10-21(14)17(20-15)19-13-8-6-12(18)7-9-13/h3-11H,2H2,1H3/b19-17+
InChIKeyPYIZWFYPDYZLHA-HTXNQAPBSA-N
MW311.32 g/mol
LogP2.88
Rot. Bonds3

About ethyl 1-(4-fluorophenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate

ethyl 1-(4-fluorophenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate (PubChem CID 10638760) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is ethyl 1-(4-fluorophenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluorophenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate
PubChem CID10638760
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Nameethyl 1-(4-fluorophenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cc2ccccn2/c(=N/c2ccc(F)cc2)n1
InChIInChI=1S/C17H14FN3O2/c1-2-23-16(22)15-11-14-5-3-4-10-21(14)17(20-15)19-13-8-6-12(18)7-9-13/h3-11H,2H2,1H3/b19-17+
InChIKeyPYIZWFYPDYZLHA-HTXNQAPBSA-N
XLogP2.88
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(4-methoxyphenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate
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CID 11370315
ethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate
CID 23794192
ethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate
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ethyl 4-fluoroquinoline-2-carboxylate
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CID 10591570

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluorophenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 1-(4-fluorophenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate (CID 10638760) is ethyl 1-(4-fluorophenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluorophenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-fluorophenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate is CCOC(=O)c1cc2ccccn2/c(=N/c2ccc(F)cc2)n1.
What is the InChIKey of ethyl 1-(4-fluorophenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate?
The InChIKey is PYIZWFYPDYZLHA-HTXNQAPBSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-2-23-16(22)15-11-14-5-3-4-10-21(14)17(20-15)19-13-8-6-12(18)7-9-13/h3-11H,2H2,1H3/b19-17+.
What are the key properties of ethyl 1-(4-fluorophenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate?
ethyl 1-(4-fluorophenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate has a molecular weight of 311.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-fluorophenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate is sourced from PubChem (CID 10638760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).