methyl 4-amino-3-chloro-6-(3,4-dimethylphenyl)pyridine-2-carboxylate

C15H15ClN2O2 — CID 22677522

IUPACmethyl 4-amino-3-chloro-6-(3,4-dimethylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C)c(C)c2)cc(N)c1Cl
InChIInChI=1S/C15H15ClN2O2/c1-8-4-5-10(6-9(8)2)12-7-11(17)13(16)14(18-12)15(19)20-3/h4-7H,1-3H3,(H2,17,18)
InChIKeyIIRNBSCWGDRVFQ-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.39
Rot. Bonds2

About methyl 4-amino-3-chloro-6-(3,4-dimethylphenyl)pyridine-2-carboxylate

methyl 4-amino-3-chloro-6-(3,4-dimethylphenyl)pyridine-2-carboxylate (PubChem CID 22677522) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-(3,4-dimethylphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-(3,4-dimethylphenyl)pyridine-2-carboxylate
PubChem CID22677522
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Namemethyl 4-amino-3-chloro-6-(3,4-dimethylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C)c(C)c2)cc(N)c1Cl
InChIInChI=1S/C15H15ClN2O2/c1-8-4-5-10(6-9(8)2)12-7-11(17)13(16)14(18-12)15(19)20-3/h4-7H,1-3H3,(H2,17,18)
InChIKeyIIRNBSCWGDRVFQ-UHFFFAOYSA-N
XLogP3.39
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.39
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-6-(3,4-dimethylphenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-(3,4-dimethylphenyl)pyridine-2-carboxylate (CID 22677522) is methyl 4-amino-3-chloro-6-(3,4-dimethylphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-(3,4-dimethylphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-(3,4-dimethylphenyl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(C)c(C)c2)cc(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-(3,4-dimethylphenyl)pyridine-2-carboxylate?
The InChIKey is IIRNBSCWGDRVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-8-4-5-10(6-9(8)2)12-7-11(17)13(16)14(18-12)15(19)20-3/h4-7H,1-3H3,(H2,17,18).
What are the key properties of methyl 4-amino-3-chloro-6-(3,4-dimethylphenyl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-(3,4-dimethylphenyl)pyridine-2-carboxylate has a molecular weight of 290.75 g/mol, XLogP of 3.39, 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-6-(3,4-dimethylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 22677522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).