6-bromo-4-phosphanylidenepyrano[2,3-b]pyridine-3-carbonitrile

C9H4BrN2OP — CID 130293149

IUPAC6-bromo-4-phosphanylidenepyrano[2,3-b]pyridine-3-carbonitrile
SMILES[H]/P=c1\c(C#N)coc2ncc(Br)cc12
InChIInChI=1S/C9H4BrN2OP/c10-6-1-7-8(14)5(2-11)4-13-9(7)12-3-6/h1,3-4,14H
InChIKeyPDSZGTZMBLBWAZ-UHFFFAOYSA-N
MW267.02 g/mol
LogP3.14
Rot. Bonds

About 6-bromo-4-phosphanylidenepyrano[2,3-b]pyridine-3-carbonitrile

6-bromo-4-phosphanylidenepyrano[2,3-b]pyridine-3-carbonitrile (PubChem CID 130293149) has the molecular formula C9H4BrN2OP and a molecular weight of 267.02 g/mol. Its IUPAC name is 6-bromo-4-phosphanylidenepyrano[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-4-phosphanylidenepyrano[2,3-b]pyridine-3-carbonitrile
PubChem CID130293149
Molecular FormulaC9H4BrN2OP
Molecular Weight267.02 g/mol
Exact Mass265.92
IUPAC Name6-bromo-4-phosphanylidenepyrano[2,3-b]pyridine-3-carbonitrile
SMILES[H]/P=c1\c(C#N)coc2ncc(Br)cc12
InChIInChI=1S/C9H4BrN2OP/c10-6-1-7-8(14)5(2-11)4-13-9(7)12-3-6/h1,3-4,14H
InChIKeyPDSZGTZMBLBWAZ-UHFFFAOYSA-N
XLogP3.14
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.02
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-phosphanylidenepyrano[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 6-bromo-4-phosphanylidenepyrano[2,3-b]pyridine-3-carbonitrile (CID 130293149) is 6-bromo-4-phosphanylidenepyrano[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 6-bromo-4-phosphanylidenepyrano[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 6-bromo-4-phosphanylidenepyrano[2,3-b]pyridine-3-carbonitrile is [H]/P=c1\c(C#N)coc2ncc(Br)cc12.
What is the InChIKey of 6-bromo-4-phosphanylidenepyrano[2,3-b]pyridine-3-carbonitrile?
The InChIKey is PDSZGTZMBLBWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrN2OP/c10-6-1-7-8(14)5(2-11)4-13-9(7)12-3-6/h1,3-4,14H.
What are the key properties of 6-bromo-4-phosphanylidenepyrano[2,3-b]pyridine-3-carbonitrile?
6-bromo-4-phosphanylidenepyrano[2,3-b]pyridine-3-carbonitrile has a molecular weight of 267.02 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-phosphanylidenepyrano[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 130293149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).