lithium;hydride;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxylic acid

C9H12LiNO3 — CID 173173809

IUPAClithium;hydride;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxylic acid
SMILESCN1CCc2cc(C(=O)O)oc2C1.[H-].[Li+]
InChIInChI=1S/C9H11NO3.Li.H/c1-10-3-2-6-4-7(9(11)12)13-8(6)5-10;;/h4H,2-3,5H2,1H3,(H,11,12);;/q;+1;-1
InChIKeyYDLCHEYZTOVRSW-UHFFFAOYSA-N
MW189.14 g/mol
LogP-1.92
Rot. Bonds1

About lithium;hydride;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxylic acid

lithium;hydride;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxylic acid (PubChem CID 173173809) has the molecular formula C9H12LiNO3 and a molecular weight of 189.14 g/mol. Its IUPAC name is lithium;hydride;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Namelithium;hydride;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxylic acid
PubChem CID173173809
Molecular FormulaC9H12LiNO3
Molecular Weight189.14 g/mol
Exact Mass189.10
IUPAC Namelithium;hydride;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxylic acid
SMILESCN1CCc2cc(C(=O)O)oc2C1.[H-].[Li+]
InChIInChI=1S/C9H11NO3.Li.H/c1-10-3-2-6-4-7(9(11)12)13-8(6)5-10;;/h4H,2-3,5H2,1H3,(H,11,12);;/q;+1;-1
InChIKeyYDLCHEYZTOVRSW-UHFFFAOYSA-N
XLogP-1.92
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 5-1.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of lithium;hydride;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of lithium;hydride;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxylic acid (CID 173173809) is lithium;hydride;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for lithium;hydride;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for lithium;hydride;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxylic acid is CN1CCc2cc(C(=O)O)oc2C1.[H-].[Li+].
What is the InChIKey of lithium;hydride;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is YDLCHEYZTOVRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.Li.H/c1-10-3-2-6-4-7(9(11)12)13-8(6)5-10;;/h4H,2-3,5H2,1H3,(H,11,12);;/q;+1;-1.
What are the key properties of lithium;hydride;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxylic acid?
lithium;hydride;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 189.14 g/mol, XLogP of -1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 173173809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).