methyl 5-fluoro-6-(methylamino)pyridine-2-carboxylate

C8H9FN2O2 — CID 167289136

IUPACmethyl 5-fluoro-6-(methylamino)pyridine-2-carboxylate
SMILESCNc1nc(C(=O)OC)ccc1F
InChIInChI=1S/C8H9FN2O2/c1-10-7-5(9)3-4-6(11-7)8(12)13-2/h3-4H,1-2H3,(H,10,11)
InChIKeyFBRKZQINVWEMRW-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.05
Rot. Bonds2

About methyl 5-fluoro-6-(methylamino)pyridine-2-carboxylate

methyl 5-fluoro-6-(methylamino)pyridine-2-carboxylate (PubChem CID 167289136) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is methyl 5-fluoro-6-(methylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-6-(methylamino)pyridine-2-carboxylate
PubChem CID167289136
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Namemethyl 5-fluoro-6-(methylamino)pyridine-2-carboxylate
SMILESCNc1nc(C(=O)OC)ccc1F
InChIInChI=1S/C8H9FN2O2/c1-10-7-5(9)3-4-6(11-7)8(12)13-2/h3-4H,1-2H3,(H,10,11)
InChIKeyFBRKZQINVWEMRW-UHFFFAOYSA-N
XLogP1.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Acetamidopicolinic acid
CID 824640
Ethyl 6-Aminopyridine-2-carboxylate
CID 11959065
Methyl 6-aminopyridine-2-carboxylate
CID 13809143
6-(Prop-2-enamido)pyridine-2-carboxylic acid
CID 63642220
6-(Morpholin-4-yl)pyridine-2-carboxylic acid
CID 2388921
Methyl 6-amino-4-chloropyridine-2-carboxylate
CID 9899037
Methyl 6-amino-3-bromopyridine-2-carboxylate
CID 10657127
Methyl 5,6-diamino-2-pyridinecarboxylate
CID 12097747
Ethyl 6-aminopyridine-2-carboxylate hydrochloride
CID 23437674
Methyl 6-(aminomethyl)picolinate
CID 29921664
Methyl 6-fluoropyridine-2-carboxylate
CID 44181855
6-(Dimethylamino)picolinic acid
CID 53408411

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-6-(methylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-fluoro-6-(methylamino)pyridine-2-carboxylate (CID 167289136) is methyl 5-fluoro-6-(methylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-fluoro-6-(methylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-fluoro-6-(methylamino)pyridine-2-carboxylate is CNc1nc(C(=O)OC)ccc1F.
What is the InChIKey of methyl 5-fluoro-6-(methylamino)pyridine-2-carboxylate?
The InChIKey is FBRKZQINVWEMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-10-7-5(9)3-4-6(11-7)8(12)13-2/h3-4H,1-2H3,(H,10,11).
What are the key properties of methyl 5-fluoro-6-(methylamino)pyridine-2-carboxylate?
methyl 5-fluoro-6-(methylamino)pyridine-2-carboxylate has a molecular weight of 184.17 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-6-(methylamino)pyridine-2-carboxylate is sourced from PubChem (CID 167289136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).