lithium;2,3-dichloropyridine-4-carboxylic acid;hydride

C6H4Cl2LiNO2 — CID 174387872

IUPAClithium;2,3-dichloropyridine-4-carboxylic acid;hydride
SMILESO=C(O)c1ccnc(Cl)c1Cl.[H-].[Li+]
InChIInChI=1S/C6H3Cl2NO2.Li.H/c7-4-3(6(10)11)1-2-9-5(4)8;;/h1-2H,(H,10,11);;/q;+1;-1
InChIKeySDWWRHVVZIHVBH-UHFFFAOYSA-N
MW199.95 g/mol
LogP-0.80
Rot. Bonds1

About lithium;2,3-dichloropyridine-4-carboxylic acid;hydride

lithium;2,3-dichloropyridine-4-carboxylic acid;hydride (PubChem CID 174387872) has the molecular formula C6H4Cl2LiNO2 and a molecular weight of 199.95 g/mol. Its IUPAC name is lithium;2,3-dichloropyridine-4-carboxylic acid;hydride.

Molecular Properties

Compound Namelithium;2,3-dichloropyridine-4-carboxylic acid;hydride
PubChem CID174387872
Molecular FormulaC6H4Cl2LiNO2
Molecular Weight199.95 g/mol
Exact Mass198.98
IUPAC Namelithium;2,3-dichloropyridine-4-carboxylic acid;hydride
SMILESO=C(O)c1ccnc(Cl)c1Cl.[H-].[Li+]
InChIInChI=1S/C6H3Cl2NO2.Li.H/c7-4-3(6(10)11)1-2-9-5(4)8;;/h1-2H,(H,10,11);;/q;+1;-1
InChIKeySDWWRHVVZIHVBH-UHFFFAOYSA-N
XLogP-0.80
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.95
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloropyridine-2,4-dicarboxylic acid
CID 134247663
2-chloro-3-formylpyridine-4-carboxylic acid
CID 70700634
azetidin-1-yl-(2,3-dichloro-4-pyridinyl)methanone
CID 154067402
2-chloro-3-(3,5-dichlorophenyl)pyridine-4-carboxylic acid
CID 119000557
3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid
CID 134637312
3-chloro-2-(2,6-dichlorophenyl)pyridine-4-carboxylic acid
CID 133087953
3-chloro-2-(2-hydroxyethoxy)pyridine-4-carboxylic acid
CID 107063382
3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid
CID 107063696
2-(azepan-1-yl)-3-chloropyridine-4-carboxylic acid
CID 107062188
2-tert-butylsulfanyl-3-chloropyridine-4-carboxylic acid
CID 107063650
1-chloroisoquinoline-5-carboxylic acid
CID 21192483
2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)pyridine-4-carboxylic acid
CID 133089976

Frequently Asked Questions

What is the IUPAC name of lithium;2,3-dichloropyridine-4-carboxylic acid;hydride?
The IUPAC name of lithium;2,3-dichloropyridine-4-carboxylic acid;hydride (CID 174387872) is lithium;2,3-dichloropyridine-4-carboxylic acid;hydride.
What is the SMILES notation for lithium;2,3-dichloropyridine-4-carboxylic acid;hydride?
The canonical SMILES for lithium;2,3-dichloropyridine-4-carboxylic acid;hydride is O=C(O)c1ccnc(Cl)c1Cl.[H-].[Li+].
What is the InChIKey of lithium;2,3-dichloropyridine-4-carboxylic acid;hydride?
The InChIKey is SDWWRHVVZIHVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO2.Li.H/c7-4-3(6(10)11)1-2-9-5(4)8;;/h1-2H,(H,10,11);;/q;+1;-1.
What are the key properties of lithium;2,3-dichloropyridine-4-carboxylic acid;hydride?
lithium;2,3-dichloropyridine-4-carboxylic acid;hydride has a molecular weight of 199.95 g/mol, XLogP of -0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2,3-dichloropyridine-4-carboxylic acid;hydride is sourced from PubChem (CID 174387872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).