methyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride

C13H9Cl2F2NO2 — CID 66732376

IUPACmethyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride
SMILESCOC(=O)c1ccnc(-c2cc(F)c(Cl)c(F)c2)c1.Cl
InChIInChI=1S/C13H8ClF2NO2.ClH/c1-19-13(18)7-2-3-17-11(6-7)8-4-9(15)12(14)10(16)5-8;/h2-6H,1H3;1H
InChIKeyZUPRFIGCVBJJEV-UHFFFAOYSA-N
MW320.12 g/mol
LogP3.89
Rot. Bonds2

About methyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride

methyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride (PubChem CID 66732376) has the molecular formula C13H9Cl2F2NO2 and a molecular weight of 320.12 g/mol. Its IUPAC name is methyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride
PubChem CID66732376
Molecular FormulaC13H9Cl2F2NO2
Molecular Weight320.12 g/mol
Exact Mass319.00
IUPAC Namemethyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride
SMILESCOC(=O)c1ccnc(-c2cc(F)c(Cl)c(F)c2)c1.Cl
InChIInChI=1S/C13H8ClF2NO2.ClH/c1-19-13(18)7-2-3-17-11(6-7)8-4-9(15)12(14)10(16)5-8;/h2-6H,1H3;1H
InChIKeyZUPRFIGCVBJJEV-UHFFFAOYSA-N
XLogP3.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.12
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate
CID 66731831
methyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 66732503
methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate
CID 131839676
methyl 2-(2,3,4-trichlorophenyl)pyridine-4-carboxylate
CID 134636687
methyl 2-(4-ethylphenyl)pyridine-4-carboxylate
CID 172552381
methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate
CID 170171280
methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate
CID 11164163
ethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate
CID 22557799
methyl 2-(4-chloro-3-fluorophenyl)piperidine-4-carboxylate;methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate;hydrochloride
CID 158043795
2-(3-fluoro-4-methoxyphenyl)pyridine-4-carboxylic acid
CID 53223378
methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 44722916
methyl 2-chloropyridine-4-carboxylate;methyl 2-[(2-fluorophenyl)methyl]pyridine-4-carboxylate
CID 159589260

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride (CID 66732376) is methyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride is COC(=O)c1ccnc(-c2cc(F)c(Cl)c(F)c2)c1.Cl.
What is the InChIKey of methyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride?
The InChIKey is ZUPRFIGCVBJJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2NO2.ClH/c1-19-13(18)7-2-3-17-11(6-7)8-4-9(15)12(14)10(16)5-8;/h2-6H,1H3;1H.
What are the key properties of methyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride?
methyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride has a molecular weight of 320.12 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride is sourced from PubChem (CID 66732376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).