methyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate

C15H15ClN2O2 — CID 107634700

IUPACmethyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNc2cc(C)ccc2Cl)nc1
InChIInChI=1S/C15H15ClN2O2/c1-10-3-6-13(16)14(7-10)18-9-12-5-4-11(8-17-12)15(19)20-2/h3-8,18H,9H2,1-2H3
InChIKeyYDZLYPNUXHTUFW-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.44
Rot. Bonds4

About methyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate

methyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate (PubChem CID 107634700) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is methyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate
PubChem CID107634700
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Namemethyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNc2cc(C)ccc2Cl)nc1
InChIInChI=1S/C15H15ClN2O2/c1-10-3-6-13(16)14(7-10)18-9-12-5-4-11(8-17-12)15(19)20-2/h3-8,18H,9H2,1-2H3
InChIKeyYDZLYPNUXHTUFW-UHFFFAOYSA-N
XLogP3.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[(2-chloro-5-fluoroanilino)methyl]pyridine-3-carboxylate
CID 107528321
2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 103880797
methyl 6-[(2-bromo-4-chloroanilino)methyl]pyridine-3-carboxylate
CID 81270988
N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline
CID 113344581
methyl 4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]benzoate
CID 81311822
methyl 4-chloro-3-[(2,5-dimethylphenyl)methylamino]benzoate
CID 63441956
methyl 4-chloro-3-[(2-chloropyrimidin-5-yl)methylamino]benzoate
CID 156753170
methyl 6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]pyridine-3-carboxylate
CID 107611454
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-methylsulfonylaniline
CID 81311269
methyl 4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzoate
CID 43784636
methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate
CID 81312860

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate (CID 107634700) is methyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CNc2cc(C)ccc2Cl)nc1.
What is the InChIKey of methyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate?
The InChIKey is YDZLYPNUXHTUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-3-6-13(16)14(7-10)18-9-12-5-4-11(8-17-12)15(19)20-2/h3-8,18H,9H2,1-2H3.
What are the key properties of methyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate?
methyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate has a molecular weight of 290.75 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 107634700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).