methyl 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-5-fluoropyridine-2-carboxylate

C15H12ClFN2O3 — CID 22677300

IUPACmethyl 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3c(c2)CCO3)c(F)c(N)c1Cl
InChIInChI=1S/C15H12ClFN2O3/c1-21-15(20)14-10(16)12(18)11(17)13(19-14)8-2-3-9-7(6-8)4-5-22-9/h2-3,6H,4-5H2,1H3,(H2,18,19)
InChIKeyCVKPXQRCFBLWLV-UHFFFAOYSA-N
MW322.72 g/mol
LogP2.84
Rot. Bonds2

About methyl 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-5-fluoropyridine-2-carboxylate

methyl 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-5-fluoropyridine-2-carboxylate (PubChem CID 22677300) has the molecular formula C15H12ClFN2O3 and a molecular weight of 322.72 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-5-fluoropyridine-2-carboxylate
PubChem CID22677300
Molecular FormulaC15H12ClFN2O3
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC Namemethyl 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3c(c2)CCO3)c(F)c(N)c1Cl
InChIInChI=1S/C15H12ClFN2O3/c1-21-15(20)14-10(16)12(18)11(17)13(19-14)8-2-3-9-7(6-8)4-5-22-9/h2-3,6H,4-5H2,1H3,(H2,18,19)
InChIKeyCVKPXQRCFBLWLV-UHFFFAOYSA-N
XLogP2.84
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.72
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-5-fluoropyridine-2-carboxylate (CID 22677300) is methyl 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-5-fluoropyridine-2-carboxylate is COC(=O)c1nc(-c2ccc3c(c2)CCO3)c(F)c(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-5-fluoropyridine-2-carboxylate?
The InChIKey is CVKPXQRCFBLWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O3/c1-21-15(20)14-10(16)12(18)11(17)13(19-14)8-2-3-9-7(6-8)4-5-22-9/h2-3,6H,4-5H2,1H3,(H2,18,19).
What are the key properties of methyl 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-5-fluoropyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-5-fluoropyridine-2-carboxylate has a molecular weight of 322.72 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 22677300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).