methyl 4-chloropyridine-2-carboxylate;hydrochloride

C7H7Cl2NO2 — CID 16655470

IUPACmethyl 4-chloropyridine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(Cl)ccn1.Cl
InChIInChI=1S/C7H6ClNO2.ClH/c1-11-7(10)6-4-5(8)2-3-9-6;/h2-4H,1H3;1H
InChIKeyPAGFSBPYVNFHAS-UHFFFAOYSA-N
MW208.04 g/mol
LogP1.94
Rot. Bonds1

About methyl 4-chloropyridine-2-carboxylate;hydrochloride

methyl 4-chloropyridine-2-carboxylate;hydrochloride (PubChem CID 16655470) has the molecular formula C7H7Cl2NO2 and a molecular weight of 208.04 g/mol. Its IUPAC name is methyl 4-chloropyridine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-chloropyridine-2-carboxylate;hydrochloride
PubChem CID16655470
Molecular FormulaC7H7Cl2NO2
Molecular Weight208.04 g/mol
Exact Mass206.99
IUPAC Namemethyl 4-chloropyridine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(Cl)ccn1.Cl
InChIInChI=1S/C7H6ClNO2.ClH/c1-11-7(10)6-4-5(8)2-3-9-6;/h2-4H,1H3;1H
InChIKeyPAGFSBPYVNFHAS-UHFFFAOYSA-N
XLogP1.94
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.04
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloropyridine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 4-chloropyridine-2-carboxylate;hydrochloride (CID 16655470) is methyl 4-chloropyridine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-chloropyridine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-chloropyridine-2-carboxylate;hydrochloride is COC(=O)c1cc(Cl)ccn1.Cl.
What is the InChIKey of methyl 4-chloropyridine-2-carboxylate;hydrochloride?
The InChIKey is PAGFSBPYVNFHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2.ClH/c1-11-7(10)6-4-5(8)2-3-9-6;/h2-4H,1H3;1H.
What are the key properties of methyl 4-chloropyridine-2-carboxylate;hydrochloride?
methyl 4-chloropyridine-2-carboxylate;hydrochloride has a molecular weight of 208.04 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloropyridine-2-carboxylate;hydrochloride is sourced from PubChem (CID 16655470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).