ethyl 2-methylpyridine-4-carboxylate;hydrochloride

C9H12ClNO2 — CID 53229930

IUPACethyl 2-methylpyridine-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccnc(C)c1.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-3-12-9(11)8-4-5-10-7(2)6-8;/h4-6H,3H2,1-2H3;1H
InChIKeyDPRMHHCAVHGENN-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.99
Rot. Bonds2

About ethyl 2-methylpyridine-4-carboxylate;hydrochloride

ethyl 2-methylpyridine-4-carboxylate;hydrochloride (PubChem CID 53229930) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is ethyl 2-methylpyridine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-methylpyridine-4-carboxylate;hydrochloride
PubChem CID53229930
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Nameethyl 2-methylpyridine-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccnc(C)c1.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-3-12-9(11)8-4-5-10-7(2)6-8;/h4-6H,3H2,1-2H3;1H
InChIKeyDPRMHHCAVHGENN-UHFFFAOYSA-N
XLogP1.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl Nicotinate
CID 7151
Ethyl Nicotinate
CID 69188
Benzyl Nicotinate
CID 7191
2-Butoxyethyl 3-pyridinecarboxylate
CID 14866
Nicametate
CID 71650
Hexyl nicotinate
CID 90202
Isopropyl nicotinate
CID 68379
Butyl nicotinate
CID 81353
Ethyl isonicotinate
CID 15291
Diethyl 2,4-pyridinedicarboxylate
CID 170509
Ethyl 2-pyridinecarboxylate
CID 17307
Methyl isonicotinate
CID 227085

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylpyridine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-methylpyridine-4-carboxylate;hydrochloride (CID 53229930) is ethyl 2-methylpyridine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-methylpyridine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-methylpyridine-4-carboxylate;hydrochloride is CCOC(=O)c1ccnc(C)c1.Cl.
What is the InChIKey of ethyl 2-methylpyridine-4-carboxylate;hydrochloride?
The InChIKey is DPRMHHCAVHGENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-3-12-9(11)8-4-5-10-7(2)6-8;/h4-6H,3H2,1-2H3;1H.
What are the key properties of ethyl 2-methylpyridine-4-carboxylate;hydrochloride?
ethyl 2-methylpyridine-4-carboxylate;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylpyridine-4-carboxylate;hydrochloride is sourced from PubChem (CID 53229930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).