methyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate

C10H11ClN2O3 — CID 123968717

IUPACmethyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NC(C)=O)c1Cl
InChIInChI=1S/C10H11ClN2O3/c1-5-4-7(13-6(2)14)8(11)9(12-5)10(15)16-3/h4H,1-3H3,(H,12,13,14)
InChIKeyILFXNBXLCKSSTN-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.79
Rot. Bonds2

About methyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate

methyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate (PubChem CID 123968717) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is methyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate
PubChem CID123968717
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Namemethyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NC(C)=O)c1Cl
InChIInChI=1S/C10H11ClN2O3/c1-5-4-7(13-6(2)14)8(11)9(12-5)10(15)16-3/h4H,1-3H3,(H,12,13,14)
InChIKeyILFXNBXLCKSSTN-UHFFFAOYSA-N
XLogP1.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 141403656
CID 141403656
methyl 3-chloro-4-methoxy-6-methylpyridine-2-carboxylate
CID 142574242
methyl 4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylate
CID 68600593
methyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate
CID 22677410
N-[3,6-dichloro-2-(1-methoxyethenyl)-4-pyridinyl]acetamide
CID 146259289
methyl 4-acetamido-3-chloro-6-[2,4-dichloro-3-(difluoromethyl)phenyl]pyridine-2-carboxylate
CID 68599187
6-(4-acetamido-5-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid
CID 90416355
methyl 4-acetamido-6-(3-bromo-5-methyl-4H-1,2-oxazol-5-yl)-3-chloropyridine-2-carboxylate
CID 138594937
methyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate
CID 142367193
methyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate
CID 142760620
methyl 4-acetamido-3-chloro-6-(4-chloro-3-fluoro-2-formylphenyl)pyridine-2-carboxylate
CID 90415466
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563

Frequently Asked Questions

What is the IUPAC name of methyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate?
The IUPAC name of methyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate (CID 123968717) is methyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate is COC(=O)c1nc(C)cc(NC(C)=O)c1Cl.
What is the InChIKey of methyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate?
The InChIKey is ILFXNBXLCKSSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-5-4-7(13-6(2)14)8(11)9(12-5)10(15)16-3/h4H,1-3H3,(H,12,13,14).
What are the key properties of methyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate?
methyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate has a molecular weight of 242.66 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 123968717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).