methyl 3-amino-2-chloro-5-methylpyridine-4-carboxylate;hydrochloride

C8H10Cl2N2O2 — CID 130229255

IUPACmethyl 3-amino-2-chloro-5-methylpyridine-4-carboxylate;hydrochloride
SMILESCOC(=O)c1c(C)cnc(Cl)c1N.Cl
InChIInChI=1S/C8H9ClN2O2.ClH/c1-4-3-11-7(9)6(10)5(4)8(12)13-2;/h3H,10H2,1-2H3;1H
InChIKeyJZXRQLQUHRKNDI-UHFFFAOYSA-N
MW237.09 g/mol
LogP1.83
Rot. Bonds1

About methyl 3-amino-2-chloro-5-methylpyridine-4-carboxylate;hydrochloride

methyl 3-amino-2-chloro-5-methylpyridine-4-carboxylate;hydrochloride (PubChem CID 130229255) has the molecular formula C8H10Cl2N2O2 and a molecular weight of 237.09 g/mol. Its IUPAC name is methyl 3-amino-2-chloro-5-methylpyridine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-amino-2-chloro-5-methylpyridine-4-carboxylate;hydrochloride
PubChem CID130229255
Molecular FormulaC8H10Cl2N2O2
Molecular Weight237.09 g/mol
Exact Mass236.01
IUPAC Namemethyl 3-amino-2-chloro-5-methylpyridine-4-carboxylate;hydrochloride
SMILESCOC(=O)c1c(C)cnc(Cl)c1N.Cl
InChIInChI=1S/C8H9ClN2O2.ClH/c1-4-3-11-7(9)6(10)5(4)8(12)13-2;/h3H,10H2,1-2H3;1H
InChIKeyJZXRQLQUHRKNDI-UHFFFAOYSA-N
XLogP1.83
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 51.83
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

methyl 4-amino-5-(4-amino-6-chloro-5-methoxycarbonyl-3-pyridinyl)-2-chloropyridine-3-carboxylate
CID 177042722
methyl 3-chloro-2-methoxy-5-methylpyridine-4-carboxylate
CID 178117640
methyl 2-chloro-4-(difluoromethyl)-5-methylpyridine-3-carboxylate
CID 130074412
methyl 3-amino-2,6-dichloro-4-methylbenzoate
CID 58277770
ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate
CID 170617619
dimethyl 2-amino-4-methylbenzene-1,3-dicarboxylate
CID 70548009
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
2,4-dichloro-5-methylpyridine-3-carboxylic acid
CID 174770663
methyl 4,6-dichloro-5-methylpyridine-3-carboxylate
CID 87230257
methyl 3-chloroisoquinoline-4-carboxylate
CID 71748466
methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate
CID 115022124
methyl 4-amino-2-(4-amino-5-bromo-6-chloro-3-methoxycarbonyl-2-pyridinyl)-5-bromo-6-chloropyridine-3-carboxylate
CID 177042841

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-chloro-5-methylpyridine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 3-amino-2-chloro-5-methylpyridine-4-carboxylate;hydrochloride (CID 130229255) is methyl 3-amino-2-chloro-5-methylpyridine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-amino-2-chloro-5-methylpyridine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-amino-2-chloro-5-methylpyridine-4-carboxylate;hydrochloride is COC(=O)c1c(C)cnc(Cl)c1N.Cl.
What is the InChIKey of methyl 3-amino-2-chloro-5-methylpyridine-4-carboxylate;hydrochloride?
The InChIKey is JZXRQLQUHRKNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2.ClH/c1-4-3-11-7(9)6(10)5(4)8(12)13-2;/h3H,10H2,1-2H3;1H.
What are the key properties of methyl 3-amino-2-chloro-5-methylpyridine-4-carboxylate;hydrochloride?
methyl 3-amino-2-chloro-5-methylpyridine-4-carboxylate;hydrochloride has a molecular weight of 237.09 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-chloro-5-methylpyridine-4-carboxylate;hydrochloride is sourced from PubChem (CID 130229255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).