(3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate

C13H9Cl2NO2 — CID 115885965

IUPAC(3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate
SMILESO=C(OCc1cccc(Cl)c1)c1cnccc1Cl
InChIInChI=1S/C13H9Cl2NO2/c14-10-3-1-2-9(6-10)8-18-13(17)11-7-16-5-4-12(11)15/h1-7H,8H2
InChIKeyMZXDSSSLOQSVKD-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.75
Rot. Bonds3

About (3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate

(3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate (PubChem CID 115885965) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate
PubChem CID115885965
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name(3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate
SMILESO=C(OCc1cccc(Cl)c1)c1cnccc1Cl
InChIInChI=1S/C13H9Cl2NO2/c14-10-3-1-2-9(6-10)8-18-13(17)11-7-16-5-4-12(11)15/h1-7H,8H2
InChIKeyMZXDSSSLOQSVKD-UHFFFAOYSA-N
XLogP3.75
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorophenyl)methyl pyridine-3-carboxylate
CID 3463930
(3-chlorophenyl)methyl 5-bromo-2-chloropyridine-3-carboxylate
CID 62736574
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
(3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840599
argon;(3-chlorophenyl)methyl benzoate
CID 174492322
(3-chlorophenyl)methyl quinoxaline-6-carboxylate
CID 7677097
(3-chlorophenyl)methyl 2-bromo-5-sulfanylbenzoate
CID 107018861
4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 81227390
(3-chlorophenyl)methyl 3-(aminomethyl)benzoate
CID 65127479
[3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol
CID 105067190
(3-chlorophenyl)methyl 3-methoxybenzoate
CID 91715053
(3-chlorophenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 7878758

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate?
The IUPAC name of (3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate (CID 115885965) is (3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate.
What is the SMILES notation for (3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate?
The canonical SMILES for (3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate is O=C(OCc1cccc(Cl)c1)c1cnccc1Cl.
What is the InChIKey of (3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate?
The InChIKey is MZXDSSSLOQSVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-10-3-1-2-9(6-10)8-18-13(17)11-7-16-5-4-12(11)15/h1-7H,8H2.
What are the key properties of (3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate?
(3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate has a molecular weight of 282.13 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate is sourced from PubChem (CID 115885965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).