(2,4-dichloro-5-methylphenyl) pyridine-2-carboxylate

C13H9Cl2NO2 — CID 166584107

IUPAC(2,4-dichloro-5-methylphenyl) pyridine-2-carboxylate
SMILESCc1cc(OC(=O)c2ccccn2)c(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2NO2/c1-8-6-12(10(15)7-9(8)14)18-13(17)11-4-2-3-5-16-11/h2-7H,1H3
InChIKeyZFBYSHYHEJVJCQ-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.92
Rot. Bonds2

About (2,4-dichloro-5-methylphenyl) pyridine-2-carboxylate

(2,4-dichloro-5-methylphenyl) pyridine-2-carboxylate (PubChem CID 166584107) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is (2,4-dichloro-5-methylphenyl) pyridine-2-carboxylate.

Molecular Properties

Compound Name(2,4-dichloro-5-methylphenyl) pyridine-2-carboxylate
PubChem CID166584107
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name(2,4-dichloro-5-methylphenyl) pyridine-2-carboxylate
SMILESCc1cc(OC(=O)c2ccccn2)c(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2NO2/c1-8-6-12(10(15)7-9(8)14)18-13(17)11-4-2-3-5-16-11/h2-7H,1H3
InChIKeyZFBYSHYHEJVJCQ-UHFFFAOYSA-N
XLogP3.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-chloronaphthalen-1-yl) pyridine-2-carboxylate
CID 18075291
(2-bromophenyl) pyridine-2-carboxylate
CID 158339017
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
ethyl pyridine-2-carboxylate
CID 17307
[4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 110814060
N'-[3-(3-chloro-4-methylphenyl)propanoyl]pyridine-2-carbohydrazide
CID 46662074
5-chloro-2-methoxy-4-methyl-N-pyridin-2-ylbenzamide
CID 110762069
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
[2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate
CID 7866588
(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
CID 79018159
N-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793646
ethane;pyridine-2-carbonyl chloride
CID 158598971

Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-5-methylphenyl) pyridine-2-carboxylate?
The IUPAC name of (2,4-dichloro-5-methylphenyl) pyridine-2-carboxylate (CID 166584107) is (2,4-dichloro-5-methylphenyl) pyridine-2-carboxylate.
What is the SMILES notation for (2,4-dichloro-5-methylphenyl) pyridine-2-carboxylate?
The canonical SMILES for (2,4-dichloro-5-methylphenyl) pyridine-2-carboxylate is Cc1cc(OC(=O)c2ccccn2)c(Cl)cc1Cl.
What is the InChIKey of (2,4-dichloro-5-methylphenyl) pyridine-2-carboxylate?
The InChIKey is ZFBYSHYHEJVJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c1-8-6-12(10(15)7-9(8)14)18-13(17)11-4-2-3-5-16-11/h2-7H,1H3.
What are the key properties of (2,4-dichloro-5-methylphenyl) pyridine-2-carboxylate?
(2,4-dichloro-5-methylphenyl) pyridine-2-carboxylate has a molecular weight of 282.13 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-5-methylphenyl) pyridine-2-carboxylate is sourced from PubChem (CID 166584107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).