methyl 2-bromo-3-(1,3-oxazol-2-yl)pyridine-4-carboxylate

C10H7BrN2O3 — CID 175706536

IUPACmethyl 2-bromo-3-(1,3-oxazol-2-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Br)c1-c1ncco1
InChIInChI=1S/C10H7BrN2O3/c1-15-10(14)6-2-3-12-8(11)7(6)9-13-4-5-16-9/h2-5H,1H3
InChIKeyRUVFJUDXPFUJAJ-UHFFFAOYSA-N
MW283.08 g/mol
LogP2.29
Rot. Bonds2

About methyl 2-bromo-3-(1,3-oxazol-2-yl)pyridine-4-carboxylate

methyl 2-bromo-3-(1,3-oxazol-2-yl)pyridine-4-carboxylate (PubChem CID 175706536) has the molecular formula C10H7BrN2O3 and a molecular weight of 283.08 g/mol. Its IUPAC name is methyl 2-bromo-3-(1,3-oxazol-2-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-bromo-3-(1,3-oxazol-2-yl)pyridine-4-carboxylate
PubChem CID175706536
Molecular FormulaC10H7BrN2O3
Molecular Weight283.08 g/mol
Exact Mass281.96
IUPAC Namemethyl 2-bromo-3-(1,3-oxazol-2-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Br)c1-c1ncco1
InChIInChI=1S/C10H7BrN2O3/c1-15-10(14)6-2-3-12-8(11)7(6)9-13-4-5-16-9/h2-5H,1H3
InChIKeyRUVFJUDXPFUJAJ-UHFFFAOYSA-N
XLogP2.29
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 52.29
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

methyl 3-bromofuro[3,2-b]pyridine-7-carboxylate
CID 131602198
dimethyl 5-(1,3-oxazol-2-yl)benzene-1,3-dicarboxylate
CID 11379968
methyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311220
2-methoxycarbonylbenzoic acid;methyl 2-carbonochloridoylbenzoate;methyl 2-(1,3-oxazol-2-yl)benzoate
CID 161052521
3-methoxycarbonyl-5-(1,3-oxazol-2-yl)benzoic acid
CID 21085836
methyl 2-bromo-4-chloropyridine-3-carboxylate
CID 87513187
methyl 3-bromo-2-cyanopyridine-4-carboxylate
CID 131187881
3-methyl-2-(1,3-oxazol-2-yl)benzoic acid
CID 90411827
methyl 3-chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate
CID 175297981
methyl 2-amino-3-phenylpyridine-4-carboxylate
CID 133098297
N-methoxy-4-(1,3-oxazol-2-yl)pyrimidin-2-amine
CID 162786254
methyl 3-bromo-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 131552131

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-3-(1,3-oxazol-2-yl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-bromo-3-(1,3-oxazol-2-yl)pyridine-4-carboxylate (CID 175706536) is methyl 2-bromo-3-(1,3-oxazol-2-yl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-bromo-3-(1,3-oxazol-2-yl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-bromo-3-(1,3-oxazol-2-yl)pyridine-4-carboxylate is COC(=O)c1ccnc(Br)c1-c1ncco1.
What is the InChIKey of methyl 2-bromo-3-(1,3-oxazol-2-yl)pyridine-4-carboxylate?
The InChIKey is RUVFJUDXPFUJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3/c1-15-10(14)6-2-3-12-8(11)7(6)9-13-4-5-16-9/h2-5H,1H3.
What are the key properties of methyl 2-bromo-3-(1,3-oxazol-2-yl)pyridine-4-carboxylate?
methyl 2-bromo-3-(1,3-oxazol-2-yl)pyridine-4-carboxylate has a molecular weight of 283.08 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-3-(1,3-oxazol-2-yl)pyridine-4-carboxylate is sourced from PubChem (CID 175706536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).