lithium 2-(3-chloro-2-pyridinyl)acetate

C7H5ClLiNO2 — CID 133054150

IUPAClithium 2-(3-chloro-2-pyridinyl)acetate
SMILESO=C([O-])Cc1ncccc1Cl.[Li+]
InChIInChI=1S/C7H6ClNO2.Li/c8-5-2-1-3-9-6(5)4-7(10)11;/h1-3H,4H2,(H,10,11);/q;+1/p-1
InChIKeyWUBSNJCXLUBNLM-UHFFFAOYSA-M
MW177.52 g/mol
LogP-2.97
Rot. Bonds2

About lithium 2-(3-chloro-2-pyridinyl)acetate

lithium 2-(3-chloro-2-pyridinyl)acetate (PubChem CID 133054150) has the molecular formula C7H5ClLiNO2 and a molecular weight of 177.52 g/mol. Its IUPAC name is lithium 2-(3-chloro-2-pyridinyl)acetate.

Molecular Properties

Compound Namelithium 2-(3-chloro-2-pyridinyl)acetate
PubChem CID133054150
Molecular FormulaC7H5ClLiNO2
Molecular Weight177.52 g/mol
Exact Mass177.02
IUPAC Namelithium 2-(3-chloro-2-pyridinyl)acetate
SMILESO=C([O-])Cc1ncccc1Cl.[Li+]
InChIInChI=1S/C7H6ClNO2.Li/c8-5-2-1-3-9-6(5)4-7(10)11;/h1-3H,4H2,(H,10,11);/q;+1/p-1
InChIKeyWUBSNJCXLUBNLM-UHFFFAOYSA-M
XLogP-2.97
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.52
LogP ≤ 5-2.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride
CID 68723222
potassium 2-[3-(trifluoromethyl)-2-pyridinyl]acetate
CID 135392885
2-(3-cyclobutyl-2-pyridinyl)acetate
CID 171145293
(3-chloro-2-pyridinyl)methanamine;hydrochloride
CID 86346205
sodium 2-(2,6-dichlorophenyl)acetate
CID 153409108
diazanium;3-chloropyridine-2-carboxylate;ethanolate
CID 141333472
1-(3-chloro-2-pyridinyl)-2-methylpropan-2-ol
CID 90923258
1-(3-chloro-2-pyridinyl)pentan-2-ol
CID 63201642
1-(3-chloro-2-pyridinyl)-4,4,4-trifluorobutan-1-one
CID 103443231
sodium 2-[2-(3,4-dichloroanilino)-3-pyridinyl]acetate
CID 67938917
2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid
CID 175281524
1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride
CID 174430091

Frequently Asked Questions

What is the IUPAC name of lithium 2-(3-chloro-2-pyridinyl)acetate?
The IUPAC name of lithium 2-(3-chloro-2-pyridinyl)acetate (CID 133054150) is lithium 2-(3-chloro-2-pyridinyl)acetate.
What is the SMILES notation for lithium 2-(3-chloro-2-pyridinyl)acetate?
The canonical SMILES for lithium 2-(3-chloro-2-pyridinyl)acetate is O=C([O-])Cc1ncccc1Cl.[Li+].
What is the InChIKey of lithium 2-(3-chloro-2-pyridinyl)acetate?
The InChIKey is WUBSNJCXLUBNLM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6ClNO2.Li/c8-5-2-1-3-9-6(5)4-7(10)11;/h1-3H,4H2,(H,10,11);/q;+1/p-1.
What are the key properties of lithium 2-(3-chloro-2-pyridinyl)acetate?
lithium 2-(3-chloro-2-pyridinyl)acetate has a molecular weight of 177.52 g/mol, XLogP of -2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(3-chloro-2-pyridinyl)acetate is sourced from PubChem (CID 133054150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).