methyl 3-amino-4-fluoro-5-methylpyridine-2-carboxylate

C8H9FN2O2 — CID 171461769

IUPACmethyl 3-amino-4-fluoro-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C)c(F)c1N
InChIInChI=1S/C8H9FN2O2/c1-4-3-11-7(8(12)13-2)6(10)5(4)9/h3H,10H2,1-2H3
InChIKeyBESXROHUMKPFMK-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.90
Rot. Bonds1

About methyl 3-amino-4-fluoro-5-methylpyridine-2-carboxylate

methyl 3-amino-4-fluoro-5-methylpyridine-2-carboxylate (PubChem CID 171461769) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is methyl 3-amino-4-fluoro-5-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-fluoro-5-methylpyridine-2-carboxylate
PubChem CID171461769
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Namemethyl 3-amino-4-fluoro-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C)c(F)c1N
InChIInChI=1S/C8H9FN2O2/c1-4-3-11-7(8(12)13-2)6(10)5(4)9/h3H,10H2,1-2H3
InChIKeyBESXROHUMKPFMK-UHFFFAOYSA-N
XLogP0.90
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-fluoro-5-methylpyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-4-fluoro-5-methylpyridine-2-carboxylate (CID 171461769) is methyl 3-amino-4-fluoro-5-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-fluoro-5-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-fluoro-5-methylpyridine-2-carboxylate is COC(=O)c1ncc(C)c(F)c1N.
What is the InChIKey of methyl 3-amino-4-fluoro-5-methylpyridine-2-carboxylate?
The InChIKey is BESXROHUMKPFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-4-3-11-7(8(12)13-2)6(10)5(4)9/h3H,10H2,1-2H3.
What are the key properties of methyl 3-amino-4-fluoro-5-methylpyridine-2-carboxylate?
methyl 3-amino-4-fluoro-5-methylpyridine-2-carboxylate has a molecular weight of 184.17 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-fluoro-5-methylpyridine-2-carboxylate is sourced from PubChem (CID 171461769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).