methyl 2-methylpyridine-4-carboxylate;hydrochloride

C8H10ClNO2 — CID 139026599

IUPACmethyl 2-methylpyridine-4-carboxylate;hydrochloride
SMILESCOC(=O)c1ccnc(C)c1.Cl
InChIInChI=1S/C8H9NO2.ClH/c1-6-5-7(3-4-9-6)8(10)11-2;/h3-5H,1-2H3;1H
InChIKeyXONDWEOJMARTCA-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.60
Rot. Bonds1

About methyl 2-methylpyridine-4-carboxylate;hydrochloride

methyl 2-methylpyridine-4-carboxylate;hydrochloride (PubChem CID 139026599) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is methyl 2-methylpyridine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-methylpyridine-4-carboxylate;hydrochloride
PubChem CID139026599
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Namemethyl 2-methylpyridine-4-carboxylate;hydrochloride
SMILESCOC(=O)c1ccnc(C)c1.Cl
InChIInChI=1S/C8H9NO2.ClH/c1-6-5-7(3-4-9-6)8(10)11-2;/h3-5H,1-2H3;1H
InChIKeyXONDWEOJMARTCA-UHFFFAOYSA-N
XLogP1.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl Nicotinate
CID 7151
Isonicotinic Acid
CID 5922
Ethyl Nicotinate
CID 69188
2-Butoxyethyl 3-pyridinecarboxylate
CID 14866
Hexyl nicotinate
CID 90202
Isopropyl nicotinate
CID 68379
Butyl nicotinate
CID 81353
Ethyl isonicotinate
CID 15291
Methyl 3-aminopyridine-4-carboxylate
CID 1488824
Diethyl 2,4-pyridinedicarboxylate
CID 170509
2,5-Dimethyl-1-[(pyridin-4-yl)methyl]-1H-pyrrole-3-carboxylic acid
CID 2736289
Ethyl 2-pyridinecarboxylate
CID 17307

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylpyridine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 2-methylpyridine-4-carboxylate;hydrochloride (CID 139026599) is methyl 2-methylpyridine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-methylpyridine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-methylpyridine-4-carboxylate;hydrochloride is COC(=O)c1ccnc(C)c1.Cl.
What is the InChIKey of methyl 2-methylpyridine-4-carboxylate;hydrochloride?
The InChIKey is XONDWEOJMARTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.ClH/c1-6-5-7(3-4-9-6)8(10)11-2;/h3-5H,1-2H3;1H.
What are the key properties of methyl 2-methylpyridine-4-carboxylate;hydrochloride?
methyl 2-methylpyridine-4-carboxylate;hydrochloride has a molecular weight of 187.63 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylpyridine-4-carboxylate;hydrochloride is sourced from PubChem (CID 139026599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).