methyl 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate

C21H17FN2O4 — CID 23153492

IUPACmethyl 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(NC(=O)OCc3ccccc3)c(F)c2)ccn1
InChIInChI=1S/C21H17FN2O4/c1-27-20(25)19-12-16(9-10-23-19)15-7-8-18(17(22)11-15)24-21(26)28-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,24,26)
InChIKeyCSAFOLNBTDKVNQ-UHFFFAOYSA-N
MW380.38 g/mol
LogP4.42
Rot. Bonds5

About methyl 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate

methyl 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate (PubChem CID 23153492) has the molecular formula C21H17FN2O4 and a molecular weight of 380.38 g/mol. Its IUPAC name is methyl 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate
PubChem CID23153492
Molecular FormulaC21H17FN2O4
Molecular Weight380.38 g/mol
Exact Mass380.12
IUPAC Namemethyl 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(NC(=O)OCc3ccccc3)c(F)c2)ccn1
InChIInChI=1S/C21H17FN2O4/c1-27-20(25)19-12-16(9-10-23-19)15-7-8-18(17(22)11-15)24-21(26)28-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,24,26)
InChIKeyCSAFOLNBTDKVNQ-UHFFFAOYSA-N
XLogP4.42
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate (CID 23153492) is methyl 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate is COC(=O)c1cc(-c2ccc(NC(=O)OCc3ccccc3)c(F)c2)ccn1.
What is the InChIKey of methyl 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate?
The InChIKey is CSAFOLNBTDKVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O4/c1-27-20(25)19-12-16(9-10-23-19)15-7-8-18(17(22)11-15)24-21(26)28-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,24,26).
What are the key properties of methyl 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate?
methyl 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate has a molecular weight of 380.38 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 23153492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).