sodium 3-bromopyridin-2-olate

C5H3BrNNaO — CID 134879941

IUPACsodium 3-bromopyridin-2-olate
SMILES[Na+].[O-]c1ncccc1Br
InChIInChI=1S/C5H4BrNO.Na/c6-4-2-1-3-7-5(4)8;/h1-3H,(H,7,8);/q;+1/p-1
InChIKeyXNVYIYYEVDRYMT-UHFFFAOYSA-M
MW195.98 g/mol
LogP-2.08
Rot. Bonds

About sodium 3-bromopyridin-2-olate

sodium 3-bromopyridin-2-olate (PubChem CID 134879941) has the molecular formula C5H3BrNNaO and a molecular weight of 195.98 g/mol. Its IUPAC name is sodium 3-bromopyridin-2-olate.

Molecular Properties

Compound Namesodium 3-bromopyridin-2-olate
PubChem CID134879941
Molecular FormulaC5H3BrNNaO
Molecular Weight195.98 g/mol
Exact Mass194.93
IUPAC Namesodium 3-bromopyridin-2-olate
SMILES[Na+].[O-]c1ncccc1Br
InChIInChI=1S/C5H4BrNO.Na/c6-4-2-1-3-7-5(4)8;/h1-3H,(H,7,8);/q;+1/p-1
InChIKeyXNVYIYYEVDRYMT-UHFFFAOYSA-M
XLogP-2.08
TPSA35.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.98
LogP ≤ 5-2.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

sodium 2-bromophenolate
CID 20610457
3-bromo-2-chloropyridine
CID 693324
3-bromo-2-[2-[2-(3-bromo-2-pyridinyl)phenyl]phenyl]pyridine
CID 102358252
3-bromo-2-(difluoromethyl)pyridine
CID 54758836
tetrakis(2-bromophenolate);hafnium(4+)
CID 102051879
1-(3-bromo-2-pyridinyl)-1-methylhydrazine
CID 53402715
5-bromoquinoline;ethane
CID 142484600
3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525
(2,6-dibromophenyl)boronic acid;1,8-naphthyridine
CID 139125201
3-bromo-2-isoselenocyanatopyridine
CID 153313326
3-bromo-N,N-diethylpyridin-2-amine
CID 61374664
3-bromo-2-tert-butylsulfanylpyridine
CID 61373013

Frequently Asked Questions

What is the IUPAC name of sodium 3-bromopyridin-2-olate?
The IUPAC name of sodium 3-bromopyridin-2-olate (CID 134879941) is sodium 3-bromopyridin-2-olate.
What is the SMILES notation for sodium 3-bromopyridin-2-olate?
The canonical SMILES for sodium 3-bromopyridin-2-olate is [Na+].[O-]c1ncccc1Br.
What is the InChIKey of sodium 3-bromopyridin-2-olate?
The InChIKey is XNVYIYYEVDRYMT-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4BrNO.Na/c6-4-2-1-3-7-5(4)8;/h1-3H,(H,7,8);/q;+1/p-1.
What are the key properties of sodium 3-bromopyridin-2-olate?
sodium 3-bromopyridin-2-olate has a molecular weight of 195.98 g/mol, XLogP of -2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-bromopyridin-2-olate is sourced from PubChem (CID 134879941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).