methyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate

C13H10F2N2O2 — CID 172649615

IUPACmethyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1-c1ccc(F)cc1F
InChIInChI=1S/C13H10F2N2O2/c1-19-13(18)9-5-12(16)17-6-10(9)8-3-2-7(14)4-11(8)15/h2-6H,1H3,(H2,16,17)
InChIKeyGRZMGMIUVCNKNJ-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.40
Rot. Bonds2

About methyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate

methyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate (PubChem CID 172649615) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is methyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate
PubChem CID172649615
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Namemethyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1-c1ccc(F)cc1F
InChIInChI=1S/C13H10F2N2O2/c1-19-13(18)9-5-12(16)17-6-10(9)8-3-2-7(14)4-11(8)15/h2-6H,1H3,(H2,16,17)
InChIKeyGRZMGMIUVCNKNJ-UHFFFAOYSA-N
XLogP2.40
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate
CID 172649580
2-amino-5-(2,5-difluorophenyl)pyridine-4-carboxylic acid
CID 53223084
methyl 2-amino-5-(4-cyanophenyl)pyridine-4-carboxylate
CID 172649602
methyl 2-amino-5-(4-methylsulfonylphenyl)pyridine-4-carboxylate
CID 172649603
methyl 2-amino-6-fluoroquinoline-4-carboxylate
CID 84623443
methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate
CID 133090457
methyl 5-amino-2-(4-amino-2-methoxycarbonylphenyl)benzoate
CID 11109368
methyl 5-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 71304424
methyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
CID 75357925
methyl 2-amino-4-(2,4-difluorophenyl)-3-ethyl-5-(trifluoromethyl)benzoate
CID 163227163
methyl 2-(2,3-difluorophenyl)-5-fluorobenzoate
CID 134635148
methyl 5-amino-2-[6-(1,1-difluoroethyl)-3-pyridinyl]benzoate
CID 138678384

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate (CID 172649615) is methyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate is COC(=O)c1cc(N)ncc1-c1ccc(F)cc1F.
What is the InChIKey of methyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate?
The InChIKey is GRZMGMIUVCNKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c1-19-13(18)9-5-12(16)17-6-10(9)8-3-2-7(14)4-11(8)15/h2-6H,1H3,(H2,16,17).
What are the key properties of methyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate?
methyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate has a molecular weight of 264.23 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate is sourced from PubChem (CID 172649615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).