propan-2-yl 5-bromo-6-methoxypyridine-3-carboxylate

C10H12BrNO3 — CID 133057466

IUPACpropan-2-yl 5-bromo-6-methoxypyridine-3-carboxylate
SMILESCOc1ncc(C(=O)OC(C)C)cc1Br
InChIInChI=1S/C10H12BrNO3/c1-6(2)15-10(13)7-4-8(11)9(14-3)12-5-7/h4-6H,1-3H3
InChIKeyFWQFDRUKBNFYHI-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.42
Rot. Bonds3

About propan-2-yl 5-bromo-6-methoxypyridine-3-carboxylate

propan-2-yl 5-bromo-6-methoxypyridine-3-carboxylate (PubChem CID 133057466) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is propan-2-yl 5-bromo-6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-bromo-6-methoxypyridine-3-carboxylate
PubChem CID133057466
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Namepropan-2-yl 5-bromo-6-methoxypyridine-3-carboxylate
SMILESCOc1ncc(C(=O)OC(C)C)cc1Br
InChIInChI=1S/C10H12BrNO3/c1-6(2)15-10(13)7-4-8(11)9(14-3)12-5-7/h4-6H,1-3H3
InChIKeyFWQFDRUKBNFYHI-UHFFFAOYSA-N
XLogP2.42
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-bromo-6-methoxypyridine-3-carboxylate?
The IUPAC name of propan-2-yl 5-bromo-6-methoxypyridine-3-carboxylate (CID 133057466) is propan-2-yl 5-bromo-6-methoxypyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-bromo-6-methoxypyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 5-bromo-6-methoxypyridine-3-carboxylate is COc1ncc(C(=O)OC(C)C)cc1Br.
What is the InChIKey of propan-2-yl 5-bromo-6-methoxypyridine-3-carboxylate?
The InChIKey is FWQFDRUKBNFYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-6(2)15-10(13)7-4-8(11)9(14-3)12-5-7/h4-6H,1-3H3.
What are the key properties of propan-2-yl 5-bromo-6-methoxypyridine-3-carboxylate?
propan-2-yl 5-bromo-6-methoxypyridine-3-carboxylate has a molecular weight of 274.11 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-bromo-6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 133057466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).