methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate

C14H11ClF2N2O2 — CID 90440258

IUPACmethyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C)cc2F)c(F)c(N)c1Cl
InChIInChI=1S/C14H11ClF2N2O2/c1-6-3-4-7(8(16)5-6)12-10(17)11(18)9(15)13(19-12)14(20)21-2/h3-5H,1-2H3,(H2,18,19)
InChIKeyLIPXMMOWGXNVFP-UHFFFAOYSA-N
MW312.70 g/mol
LogP3.36
Rot. Bonds2

About methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate

methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate (PubChem CID 90440258) has the molecular formula C14H11ClF2N2O2 and a molecular weight of 312.70 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate
PubChem CID90440258
Molecular FormulaC14H11ClF2N2O2
Molecular Weight312.70 g/mol
Exact Mass312.05
IUPAC Namemethyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C)cc2F)c(F)c(N)c1Cl
InChIInChI=1S/C14H11ClF2N2O2/c1-6-3-4-7(8(16)5-6)12-10(17)11(18)9(15)13(19-12)14(20)21-2/h3-5H,1-2H3,(H2,18,19)
InChIKeyLIPXMMOWGXNVFP-UHFFFAOYSA-N
XLogP3.36
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate (CID 90440258) is methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(C)cc2F)c(F)c(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate?
The InChIKey is LIPXMMOWGXNVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2/c1-6-3-4-7(8(16)5-6)12-10(17)11(18)9(15)13(19-12)14(20)21-2/h3-5H,1-2H3,(H2,18,19).
What are the key properties of methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate has a molecular weight of 312.70 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 90440258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).