methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate

C14H11ClF2N2O2 — CID 22677382

IUPACmethyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C)cc2Cl)c(F)c(N)c1F
InChIInChI=1S/C14H11ClF2N2O2/c1-6-3-4-7(8(15)5-6)12-9(16)11(18)10(17)13(19-12)14(20)21-2/h3-5H,1-2H3,(H2,18,19)
InChIKeyLHTXUXPOXWKTMY-UHFFFAOYSA-N
MW312.70 g/mol
LogP3.36
Rot. Bonds2

About methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate

methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate (PubChem CID 22677382) has the molecular formula C14H11ClF2N2O2 and a molecular weight of 312.70 g/mol. Its IUPAC name is methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate
PubChem CID22677382
Molecular FormulaC14H11ClF2N2O2
Molecular Weight312.70 g/mol
Exact Mass312.05
IUPAC Namemethyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C)cc2Cl)c(F)c(N)c1F
InChIInChI=1S/C14H11ClF2N2O2/c1-6-3-4-7(8(15)5-6)12-9(16)11(18)10(17)13(19-12)14(20)21-2/h3-5H,1-2H3,(H2,18,19)
InChIKeyLHTXUXPOXWKTMY-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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Related Compounds

methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate
CID 90440258
methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate
CID 144501776
methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate
CID 142574461
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate
CID 59432126
methyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate
CID 90408725
methyl 3-chloro-6-[2-chloro-4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate
CID 142574195
methyl 4-amino-6-(1,3-benzodioxol-5-yl)-3,5-difluoropyridine-2-carboxylate
CID 22677492
methyl 2,3-diamino-5-(2-chloro-4-methylphenyl)benzoate
CID 166521720
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate
CID 59432141
methyl 4-amino-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-3-methylpyridine-2-carboxylate
CID 126609387
methyl 4-amino-6-(4-ethyl-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate
CID 123699604
methyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate
CID 142574271

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate (CID 22677382) is methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(C)cc2Cl)c(F)c(N)c1F.
What is the InChIKey of methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate?
The InChIKey is LHTXUXPOXWKTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2/c1-6-3-4-7(8(15)5-6)12-9(16)11(18)10(17)13(19-12)14(20)21-2/h3-5H,1-2H3,(H2,18,19).
What are the key properties of methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate?
methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-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-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate is sourced from PubChem (CID 22677382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).