(5-methyl-1,2-oxazol-3-yl)methyl 5,6-dichloropyridine-3-carboxylate

C11H8Cl2N2O3 — CID 8873138

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 5,6-dichloropyridine-3-carboxylate
SMILESCc1cc(COC(=O)c2cnc(Cl)c(Cl)c2)no1
InChIInChI=1S/C11H8Cl2N2O3/c1-6-2-8(15-18-6)5-17-11(16)7-3-9(12)10(13)14-4-7/h2-4H,5H2,1H3
InChIKeySWRNJBXQYJXKLU-UHFFFAOYSA-N
MW287.10 g/mol
LogP3.04
Rot. Bonds3

About (5-methyl-1,2-oxazol-3-yl)methyl 5,6-dichloropyridine-3-carboxylate

(5-methyl-1,2-oxazol-3-yl)methyl 5,6-dichloropyridine-3-carboxylate (PubChem CID 8873138) has the molecular formula C11H8Cl2N2O3 and a molecular weight of 287.10 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 5,6-dichloropyridine-3-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 5,6-dichloropyridine-3-carboxylate
PubChem CID8873138
Molecular FormulaC11H8Cl2N2O3
Molecular Weight287.10 g/mol
Exact Mass285.99
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 5,6-dichloropyridine-3-carboxylate
SMILESCc1cc(COC(=O)c2cnc(Cl)c(Cl)c2)no1
InChIInChI=1S/C11H8Cl2N2O3/c1-6-2-8(15-18-6)5-17-11(16)7-3-9(12)10(13)14-4-7/h2-4H,5H2,1H3
InChIKeySWRNJBXQYJXKLU-UHFFFAOYSA-N
XLogP3.04
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8679063
(5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate
CID 8872522
(5-methyl-1,2-oxazol-3-yl)methyl 3-fluoro-4-methylbenzoate
CID 52515134
(5-methyl-1,2-oxazol-3-yl)methyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate
CID 8868013
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 5,6-dichloropyridine-3-carboxylate
CID 8021608
3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid
CID 45293842
[(E)-but-2-enyl] 5,6-dichloropyridine-3-carboxylate
CID 55473163
(2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate
CID 3288046
(5-methyl-1,2-oxazol-3-yl)methyl 2-chloro-5-(2,5-dimethylpyrrol-1-yl)benzoate
CID 75413588
2-[(2-methylpropan-2-yl)oxy]ethyl 5,6-dichloropyridine-3-carboxylate
CID 112686977
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 5,6-dichloropyridine-3-carboxylate
CID 8021517
(5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 8937003

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 5,6-dichloropyridine-3-carboxylate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 5,6-dichloropyridine-3-carboxylate (CID 8873138) is (5-methyl-1,2-oxazol-3-yl)methyl 5,6-dichloropyridine-3-carboxylate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 5,6-dichloropyridine-3-carboxylate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 5,6-dichloropyridine-3-carboxylate is Cc1cc(COC(=O)c2cnc(Cl)c(Cl)c2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 5,6-dichloropyridine-3-carboxylate?
The InChIKey is SWRNJBXQYJXKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O3/c1-6-2-8(15-18-6)5-17-11(16)7-3-9(12)10(13)14-4-7/h2-4H,5H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 5,6-dichloropyridine-3-carboxylate?
(5-methyl-1,2-oxazol-3-yl)methyl 5,6-dichloropyridine-3-carboxylate has a molecular weight of 287.10 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl 5,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 8873138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).