ethyl 4-amino-3-chloro-6-(4-cyclopropylphenyl)-5-fluoropyridine-2-carboxylate

C17H16ClFN2O2 — CID 70496775

IUPACethyl 4-amino-3-chloro-6-(4-cyclopropylphenyl)-5-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C3CC3)cc2)c(F)c(N)c1Cl
InChIInChI=1S/C17H16ClFN2O2/c1-2-23-17(22)16-12(18)14(20)13(19)15(21-16)11-7-5-10(6-8-11)9-3-4-9/h5-9H,2-4H2,1H3,(H2,20,21)
InChIKeyBINNWBJIVACKGA-UHFFFAOYSA-N
MW334.78 g/mol
LogP4.18
Rot. Bonds4

About ethyl 4-amino-3-chloro-6-(4-cyclopropylphenyl)-5-fluoropyridine-2-carboxylate

ethyl 4-amino-3-chloro-6-(4-cyclopropylphenyl)-5-fluoropyridine-2-carboxylate (PubChem CID 70496775) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is ethyl 4-amino-3-chloro-6-(4-cyclopropylphenyl)-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-3-chloro-6-(4-cyclopropylphenyl)-5-fluoropyridine-2-carboxylate
PubChem CID70496775
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Nameethyl 4-amino-3-chloro-6-(4-cyclopropylphenyl)-5-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C3CC3)cc2)c(F)c(N)c1Cl
InChIInChI=1S/C17H16ClFN2O2/c1-2-23-17(22)16-12(18)14(20)13(19)15(21-16)11-7-5-10(6-8-11)9-3-4-9/h5-9H,2-4H2,1H3,(H2,20,21)
InChIKeyBINNWBJIVACKGA-UHFFFAOYSA-N
XLogP4.18
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-chloro-6-(4-cyclopropylphenyl)-5-fluoropyridine-2-carboxylate?
The IUPAC name of ethyl 4-amino-3-chloro-6-(4-cyclopropylphenyl)-5-fluoropyridine-2-carboxylate (CID 70496775) is ethyl 4-amino-3-chloro-6-(4-cyclopropylphenyl)-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-amino-3-chloro-6-(4-cyclopropylphenyl)-5-fluoropyridine-2-carboxylate?
The canonical SMILES for ethyl 4-amino-3-chloro-6-(4-cyclopropylphenyl)-5-fluoropyridine-2-carboxylate is CCOC(=O)c1nc(-c2ccc(C3CC3)cc2)c(F)c(N)c1Cl.
What is the InChIKey of ethyl 4-amino-3-chloro-6-(4-cyclopropylphenyl)-5-fluoropyridine-2-carboxylate?
The InChIKey is BINNWBJIVACKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c1-2-23-17(22)16-12(18)14(20)13(19)15(21-16)11-7-5-10(6-8-11)9-3-4-9/h5-9H,2-4H2,1H3,(H2,20,21).
What are the key properties of ethyl 4-amino-3-chloro-6-(4-cyclopropylphenyl)-5-fluoropyridine-2-carboxylate?
ethyl 4-amino-3-chloro-6-(4-cyclopropylphenyl)-5-fluoropyridine-2-carboxylate has a molecular weight of 334.78 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-chloro-6-(4-cyclopropylphenyl)-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 70496775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).