methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate

C8H9ClN2O2 — CID 71512051

IUPACmethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
SMILESCNc1cc(Cl)ncc1C(=O)OC
InChIInChI=1S/C8H9ClN2O2/c1-10-6-3-7(9)11-4-5(6)8(12)13-2/h3-4H,1-2H3,(H,10,11)
InChIKeyMCMCCUAPYAUWBV-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.56
Rot. Bonds2

About methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate

methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate (PubChem CID 71512051) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
PubChem CID71512051
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Namemethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
SMILESCNc1cc(Cl)ncc1C(=O)OC
InChIInChI=1S/C8H9ClN2O2/c1-10-6-3-7(9)11-4-5(6)8(12)13-2/h3-4H,1-2H3,(H,10,11)
InChIKeyMCMCCUAPYAUWBV-UHFFFAOYSA-N
XLogP1.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 20627001
[6-chloro-4-(methylamino)-3-pyridinyl]methanol;ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 158099879
methyl 6-chloro-4-(5-chloro-2-methylanilino)pyridine-3-carboxylate
CID 118431050
methyl 4,5-dichloro-2-(methylamino)benzoate
CID 156642662
methyl 5-bromo-2-chloropyridine-4-carboxylate
CID 26966728
methyl 6-chloro-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxylate
CID 142587312
2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine
CID 134484591
methyl 2-chloro-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 133054057
methyl 2-methyl-6-(methylamino)quinazoline-7-carboxylate
CID 175917571
methyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate
CID 165134483
methyl 4-(5-bromo-2-chloro-4-pyridinyl)-6-methylpyridine-3-carboxylate
CID 166163179
methyl 6-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxylate
CID 172868881

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate (CID 71512051) is methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate is CNc1cc(Cl)ncc1C(=O)OC.
What is the InChIKey of methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate?
The InChIKey is MCMCCUAPYAUWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-10-6-3-7(9)11-4-5(6)8(12)13-2/h3-4H,1-2H3,(H,10,11).
What are the key properties of methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate?
methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate has a molecular weight of 200.62 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate is sourced from PubChem (CID 71512051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).