methyl 4-amino-6-(2-fluoro-3-methoxy-4-methylphenyl)-3-methoxypyridine-2-carboxylate

C16H17FN2O4 — CID 147624077

IUPACmethyl 4-amino-6-(2-fluoro-3-methoxy-4-methylphenyl)-3-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C)c(OC)c2F)cc(N)c1OC
InChIInChI=1S/C16H17FN2O4/c1-8-5-6-9(12(17)14(8)21-2)11-7-10(18)15(22-3)13(19-11)16(20)23-4/h5-7H,1-4H3,(H2,18,19)
InChIKeyGEKWIBIQPAVRJS-UHFFFAOYSA-N
MW320.32 g/mol
LogP2.58
Rot. Bonds4

About methyl 4-amino-6-(2-fluoro-3-methoxy-4-methylphenyl)-3-methoxypyridine-2-carboxylate

methyl 4-amino-6-(2-fluoro-3-methoxy-4-methylphenyl)-3-methoxypyridine-2-carboxylate (PubChem CID 147624077) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is methyl 4-amino-6-(2-fluoro-3-methoxy-4-methylphenyl)-3-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(2-fluoro-3-methoxy-4-methylphenyl)-3-methoxypyridine-2-carboxylate
PubChem CID147624077
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Namemethyl 4-amino-6-(2-fluoro-3-methoxy-4-methylphenyl)-3-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C)c(OC)c2F)cc(N)c1OC
InChIInChI=1S/C16H17FN2O4/c1-8-5-6-9(12(17)14(8)21-2)11-7-10(18)15(22-3)13(19-11)16(20)23-4/h5-7H,1-4H3,(H2,18,19)
InChIKeyGEKWIBIQPAVRJS-UHFFFAOYSA-N
XLogP2.58
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate
CID 71150711
methyl 3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-4-methylpyridine-2-carboxylate
CID 138549772
4-amino-3,5,6-trichloropyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
CID 76853151
methyl 6-amino-2-(2-fluoro-3-methoxy-4-methylphenyl)-5-prop-1-ynylpyrimidine-4-carboxylate
CID 91375540
methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate
CID 68598377
methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-formylphenyl)pyridine-2-carboxylate
CID 129168945
methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate
CID 90415314
methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate
CID 68596195
methyl 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate
CID 90440255
methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
CID 165443753
methyl 4-amino-3-chloro-6-(4-fluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate
CID 68596863
methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate
CID 90441333

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(2-fluoro-3-methoxy-4-methylphenyl)-3-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(2-fluoro-3-methoxy-4-methylphenyl)-3-methoxypyridine-2-carboxylate (CID 147624077) is methyl 4-amino-6-(2-fluoro-3-methoxy-4-methylphenyl)-3-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(2-fluoro-3-methoxy-4-methylphenyl)-3-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(2-fluoro-3-methoxy-4-methylphenyl)-3-methoxypyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(C)c(OC)c2F)cc(N)c1OC.
What is the InChIKey of methyl 4-amino-6-(2-fluoro-3-methoxy-4-methylphenyl)-3-methoxypyridine-2-carboxylate?
The InChIKey is GEKWIBIQPAVRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-8-5-6-9(12(17)14(8)21-2)11-7-10(18)15(22-3)13(19-11)16(20)23-4/h5-7H,1-4H3,(H2,18,19).
What are the key properties of methyl 4-amino-6-(2-fluoro-3-methoxy-4-methylphenyl)-3-methoxypyridine-2-carboxylate?
methyl 4-amino-6-(2-fluoro-3-methoxy-4-methylphenyl)-3-methoxypyridine-2-carboxylate has a molecular weight of 320.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-(2-fluoro-3-methoxy-4-methylphenyl)-3-methoxypyridine-2-carboxylate is sourced from PubChem (CID 147624077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).