1-methyl-[1,3]azaphospholo[1,5-a]pyridine-3-carbonitrile

C9H7N2P — CID 5325081

IUPAC1-methyl-[1,3]azaphospholo[1,5-a]pyridine-3-carbonitrile
SMILESCc1pc(C#N)n2ccccc12
InChIInChI=1S/C9H7N2P/c1-7-8-4-2-3-5-11(8)9(6-10)12-7/h2-5H,1H3
InChIKeyIPCVLBDIERQZRB-UHFFFAOYSA-N
MW174.14 g/mol
LogP2.70
Rot. Bonds

About 1-methyl-[1,3]azaphospholo[1,5-a]pyridine-3-carbonitrile

1-methyl-[1,3]azaphospholo[1,5-a]pyridine-3-carbonitrile (PubChem CID 5325081) has the molecular formula C9H7N2P and a molecular weight of 174.14 g/mol. Its IUPAC name is 1-methyl-[1,3]azaphospholo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-[1,3]azaphospholo[1,5-a]pyridine-3-carbonitrile
PubChem CID5325081
Molecular FormulaC9H7N2P
Molecular Weight174.14 g/mol
Exact Mass174.03
IUPAC Name1-methyl-[1,3]azaphospholo[1,5-a]pyridine-3-carbonitrile
SMILESCc1pc(C#N)n2ccccc12
InChIInChI=1S/C9H7N2P/c1-7-8-4-2-3-5-11(8)9(6-10)12-7/h2-5H,1H3
InChIKeyIPCVLBDIERQZRB-UHFFFAOYSA-N
XLogP2.70
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethylpyrido[2,3-b]indolizine-10-carbonitrile
CID 86288189
pyrido[1,2-a]indole-10-carbonitrile
CID 66666977
4-(1-ethyl-3-methylindolizin-2-yl)benzonitrile
CID 62705557
1-bromo-2-(4-methylphenyl)indolizine-3-carbonitrile
CID 19759531
3-[(1,2-dimethylindolizin-3-yl)methyl]-1,2-dimethylindolizine
CID 1214543
3-(3-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 116836642
4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
CID 852496
2-methyl-3-[1-(2-oxopyrrolidin-1-yl)ethyl]indolizine-1-carbonitrile
CID 50915931
3-(4-amino-3-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 84760106
4-[3-(2-cyanoethyl)-2-methylindolizine-1-carbonyl]benzonitrile
CID 4080610
1-cyanoindolizine-3-carboxylic acid
CID 10888656
4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile
CID 83394379

Frequently Asked Questions

What is the IUPAC name of 1-methyl-[1,3]azaphospholo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 1-methyl-[1,3]azaphospholo[1,5-a]pyridine-3-carbonitrile (CID 5325081) is 1-methyl-[1,3]azaphospholo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 1-methyl-[1,3]azaphospholo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 1-methyl-[1,3]azaphospholo[1,5-a]pyridine-3-carbonitrile is Cc1pc(C#N)n2ccccc12.
What is the InChIKey of 1-methyl-[1,3]azaphospholo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is IPCVLBDIERQZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N2P/c1-7-8-4-2-3-5-11(8)9(6-10)12-7/h2-5H,1H3.
What are the key properties of 1-methyl-[1,3]azaphospholo[1,5-a]pyridine-3-carbonitrile?
1-methyl-[1,3]azaphospholo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 174.14 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-[1,3]azaphospholo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 5325081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).