methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate

C14H12ClFN2O3 — CID 71150711

IUPACmethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)cc2F)cc(N)c1OC
InChIInChI=1S/C14H12ClFN2O3/c1-20-13-10(17)6-11(18-12(13)14(19)21-2)8-4-3-7(15)5-9(8)16/h3-6H,1-2H3,(H2,17,18)
InChIKeyXMJWRWJARVLTNZ-UHFFFAOYSA-N
MW310.71 g/mol
LogP2.92
Rot. Bonds3

About methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate

methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate (PubChem CID 71150711) has the molecular formula C14H12ClFN2O3 and a molecular weight of 310.71 g/mol. Its IUPAC name is methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate
PubChem CID71150711
Molecular FormulaC14H12ClFN2O3
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Namemethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)cc2F)cc(N)c1OC
InChIInChI=1S/C14H12ClFN2O3/c1-20-13-10(17)6-11(18-12(13)14(19)21-2)8-4-3-7(15)5-9(8)16/h3-6H,1-2H3,(H2,17,18)
InChIKeyXMJWRWJARVLTNZ-UHFFFAOYSA-N
XLogP2.92
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate (CID 71150711) is methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)cc2F)cc(N)c1OC.
What is the InChIKey of methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate?
The InChIKey is XMJWRWJARVLTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O3/c1-20-13-10(17)6-11(18-12(13)14(19)21-2)8-4-3-7(15)5-9(8)16/h3-6H,1-2H3,(H2,17,18).
What are the key properties of methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate?
methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate has a molecular weight of 310.71 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate is sourced from PubChem (CID 71150711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).