propan-2-yl 2-bromo-5-chloro-4,6-dimethylpyridine-3-carboxylate

C11H13BrClNO2 — CID 135396806

IUPACpropan-2-yl 2-bromo-5-chloro-4,6-dimethylpyridine-3-carboxylate
SMILESCc1nc(Br)c(C(=O)OC(C)C)c(C)c1Cl
InChIInChI=1S/C11H13BrClNO2/c1-5(2)16-11(15)8-6(3)9(13)7(4)14-10(8)12/h5H,1-4H3
InChIKeyFYUUITKNRUIRLT-UHFFFAOYSA-N
MW306.59 g/mol
LogP3.68
Rot. Bonds2

About propan-2-yl 2-bromo-5-chloro-4,6-dimethylpyridine-3-carboxylate

propan-2-yl 2-bromo-5-chloro-4,6-dimethylpyridine-3-carboxylate (PubChem CID 135396806) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is propan-2-yl 2-bromo-5-chloro-4,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-bromo-5-chloro-4,6-dimethylpyridine-3-carboxylate
PubChem CID135396806
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Namepropan-2-yl 2-bromo-5-chloro-4,6-dimethylpyridine-3-carboxylate
SMILESCc1nc(Br)c(C(=O)OC(C)C)c(C)c1Cl
InChIInChI=1S/C11H13BrClNO2/c1-5(2)16-11(15)8-6(3)9(13)7(4)14-10(8)12/h5H,1-4H3
InChIKeyFYUUITKNRUIRLT-UHFFFAOYSA-N
XLogP3.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dipropan-2-yl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
CID 87817981
propan-2-yl 3-chloro-5,6-difluoro-4-methylpyridine-2-carboxylate
CID 158871285
propan-2-yl (2S)-2-(5-bromo-4-chloro-2,6-dimethyl-3-pyridinyl)-2-hydroxyacetate
CID 126601906
propan-2-yl 3,5-dimethylpyridine-4-carboxylate
CID 177327214
propan-2-yl 2,6-dichlorobenzoate
CID 22149751
propan-2-yl 2,4,5-trimethylfuran-3-carboxylate
CID 60704456
3-bromo-5-chloro-4,6-dimethyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 121479811
methyl 4,6-dichloro-2,5-dimethylpyridine-3-carboxylate
CID 20703477
propan-2-yl 6-chloro-3-methylpyridine-2-carboxylate
CID 155594307
CID 50923065
CID 50923065
propan-2-yl 6-chloropyrazine-2-carboxylate
CID 106547521
propan-2-yl 3-bromo-5-chloropyridine-2-carboxylate
CID 133063626

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-bromo-5-chloro-4,6-dimethylpyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-bromo-5-chloro-4,6-dimethylpyridine-3-carboxylate (CID 135396806) is propan-2-yl 2-bromo-5-chloro-4,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-bromo-5-chloro-4,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-bromo-5-chloro-4,6-dimethylpyridine-3-carboxylate is Cc1nc(Br)c(C(=O)OC(C)C)c(C)c1Cl.
What is the InChIKey of propan-2-yl 2-bromo-5-chloro-4,6-dimethylpyridine-3-carboxylate?
The InChIKey is FYUUITKNRUIRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-5(2)16-11(15)8-6(3)9(13)7(4)14-10(8)12/h5H,1-4H3.
What are the key properties of propan-2-yl 2-bromo-5-chloro-4,6-dimethylpyridine-3-carboxylate?
propan-2-yl 2-bromo-5-chloro-4,6-dimethylpyridine-3-carboxylate has a molecular weight of 306.59 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-bromo-5-chloro-4,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 135396806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).