methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate

C14H11FN2O3 — CID 3926848

IUPACmethyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2cccc(F)c2)n1
InChIInChI=1S/C14H11FN2O3/c1-20-14(19)12-7-3-6-11(17-12)13(18)16-10-5-2-4-9(15)8-10/h2-8H,1H3,(H,16,18)
InChIKeyPFTOYMVSWNAEEW-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.26
Rot. Bonds3

About methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate

methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate (PubChem CID 3926848) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate
PubChem CID3926848
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Namemethyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2cccc(F)c2)n1
InChIInChI=1S/C14H11FN2O3/c1-20-14(19)12-7-3-6-11(17-12)13(18)16-10-5-2-4-9(15)8-10/h2-8H,1H3,(H,16,18)
InChIKeyPFTOYMVSWNAEEW-UHFFFAOYSA-N
XLogP2.26
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(3-fluorophenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095785
6-N-(3-fluorophenyl)-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109100999
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115496994
methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634
6-N-(2-ethylphenyl)-2-N-(3-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100559
methyl 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate
CID 60541422
N-(3-fluorophenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094901
6-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097871
6-N-(3-fluorophenyl)-2-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097396
propan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate
CID 5042562
6-N-(3,4-difluorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100953
methyl 3-[[6-(tert-butylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109099195

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate (CID 3926848) is methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)Nc2cccc(F)c2)n1.
What is the InChIKey of methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate?
The InChIKey is PFTOYMVSWNAEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c1-20-14(19)12-7-3-6-11(17-12)13(18)16-10-5-2-4-9(15)8-10/h2-8H,1H3,(H,16,18).
What are the key properties of methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate?
methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate has a molecular weight of 274.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 3926848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).