4-bromo-2-chloro-[1,3]oxazolo[5,4-c]pyridine

C6H2BrClN2O — CID 84697180

IUPAC4-bromo-2-chloro-[1,3]oxazolo[5,4-c]pyridine
SMILESClc1nc2ccnc(Br)c2o1
InChIInChI=1S/C6H2BrClN2O/c7-5-4-3(1-2-9-5)10-6(8)11-4/h1-2H
InChIKeyIAKHRTVXEOBDAJ-UHFFFAOYSA-N
MW233.45 g/mol
LogP2.64
Rot. Bonds

About 4-bromo-2-chloro-[1,3]oxazolo[5,4-c]pyridine

4-bromo-2-chloro-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 84697180) has the molecular formula C6H2BrClN2O and a molecular weight of 233.45 g/mol. Its IUPAC name is 4-bromo-2-chloro-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name4-bromo-2-chloro-[1,3]oxazolo[5,4-c]pyridine
PubChem CID84697180
Molecular FormulaC6H2BrClN2O
Molecular Weight233.45 g/mol
Exact Mass231.90
IUPAC Name4-bromo-2-chloro-[1,3]oxazolo[5,4-c]pyridine
SMILESClc1nc2ccnc(Br)c2o1
InChIInChI=1S/C6H2BrClN2O/c7-5-4-3(1-2-9-5)10-6(8)11-4/h1-2H
InChIKeyIAKHRTVXEOBDAJ-UHFFFAOYSA-N
XLogP2.64
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.45
LogP ≤ 52.64
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

2-chloro-1,3-benzoxazol-7-ol
CID 18967117
7-bromo-2-chloro-6-methoxy-1,3-benzoxazole
CID 130140427
7-bromo-2-chloro-5-methyl-1,3-benzoxazole
CID 62369365
1-bromo-6-chloro-[1]benzofuro[3,2-c]pyridine
CID 166801889
5-bromo-3-chloro-1,6-naphthyridine
CID 135397069
2-bromo-4-chloro-3-iodopyridine
CID 59332995
(6-bromo-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-trimethylgermane
CID 166018520
2,10-dichloro-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 167129330
1-bromo-7-chloroisoquinoline
CID 70680391
(2-chloro-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine
CID 84659318
2,5-dichloro-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167123429
2-(2-chloro-1,3-benzoxazol-7-yl)-2-hydroxyacetic acid
CID 131605647

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-[1,3]oxazolo[5,4-c]pyridine?
The IUPAC name of 4-bromo-2-chloro-[1,3]oxazolo[5,4-c]pyridine (CID 84697180) is 4-bromo-2-chloro-[1,3]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 4-bromo-2-chloro-[1,3]oxazolo[5,4-c]pyridine?
The canonical SMILES for 4-bromo-2-chloro-[1,3]oxazolo[5,4-c]pyridine is Clc1nc2ccnc(Br)c2o1.
What is the InChIKey of 4-bromo-2-chloro-[1,3]oxazolo[5,4-c]pyridine?
The InChIKey is IAKHRTVXEOBDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClN2O/c7-5-4-3(1-2-9-5)10-6(8)11-4/h1-2H.
What are the key properties of 4-bromo-2-chloro-[1,3]oxazolo[5,4-c]pyridine?
4-bromo-2-chloro-[1,3]oxazolo[5,4-c]pyridine has a molecular weight of 233.45 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 84697180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).