methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate

C12H11FN4O2 — CID 114254932

IUPACmethyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2cncc(F)c2)n1
InChIInChI=1S/C12H11FN4O2/c1-19-12(18)10-3-2-9(14)11(17-10)16-8-4-7(13)5-15-6-8/h2-6H,14H2,1H3,(H,16,17)
InChIKeyUZKYXJPXSYMEEA-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.73
Rot. Bonds3

About methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate

methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate (PubChem CID 114254932) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate
PubChem CID114254932
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC Namemethyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2cncc(F)c2)n1
InChIInChI=1S/C12H11FN4O2/c1-19-12(18)10-3-2-9(14)11(17-10)16-8-4-7(13)5-15-6-8/h2-6H,14H2,1H3,(H,16,17)
InChIKeyUZKYXJPXSYMEEA-UHFFFAOYSA-N
XLogP1.73
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate
CID 107586488
methyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate
CID 114404958
methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918
methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate
CID 114405170
methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate
CID 114407006
methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate
CID 107531028
methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate
CID 114404980
methyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate
CID 114407384
5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid
CID 114405229
methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114407156
methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate
CID 107593608
methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
CID 114405187

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate (CID 114254932) is methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(Nc2cncc(F)c2)n1.
What is the InChIKey of methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate?
The InChIKey is UZKYXJPXSYMEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2/c1-19-12(18)10-3-2-9(14)11(17-10)16-8-4-7(13)5-15-6-8/h2-6H,14H2,1H3,(H,16,17).
What are the key properties of methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate?
methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate has a molecular weight of 262.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 114254932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).