lithium 5-ethylpyridine-2-carboxylate

C8H8LiNO2 — CID 58074033

IUPAClithium 5-ethylpyridine-2-carboxylate
SMILESCCc1ccc(C(=O)[O-])nc1.[Li+]
InChIInChI=1S/C8H9NO2.Li/c1-2-6-3-4-7(8(10)11)9-5-6;/h3-5H,2H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyZJWBFXXTZATGNR-UHFFFAOYSA-M
MW157.10 g/mol
LogP-2.99
Rot. Bonds2

About lithium 5-ethylpyridine-2-carboxylate

lithium 5-ethylpyridine-2-carboxylate (PubChem CID 58074033) has the molecular formula C8H8LiNO2 and a molecular weight of 157.10 g/mol. Its IUPAC name is lithium 5-ethylpyridine-2-carboxylate.

Molecular Properties

Compound Namelithium 5-ethylpyridine-2-carboxylate
PubChem CID58074033
Molecular FormulaC8H8LiNO2
Molecular Weight157.10 g/mol
Exact Mass157.07
IUPAC Namelithium 5-ethylpyridine-2-carboxylate
SMILESCCc1ccc(C(=O)[O-])nc1.[Li+]
InChIInChI=1S/C8H9NO2.Li/c1-2-6-3-4-7(8(10)11)9-5-6;/h3-5H,2H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyZJWBFXXTZATGNR-UHFFFAOYSA-M
XLogP-2.99
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.10
LogP ≤ 5-2.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Quinolinic Acid
CID 1066
Fusaric Acid
CID 3442
Picolinic acid
CID 1018
Dipropyl isocinchomeronate
CID 8693
2,5-Pyridinedicarboxylic acid
CID 7493
2,4-Pyridinedicarboxylic acid
CID 10365
Isoquinoline-3-carboxylic acid
CID 124656
Zinc Picolinate
CID 9904746
5-Ethylquinolinic acid
CID 113606
Phenopicolinic acid
CID 3043792
2-Carboxy-3-pyridineacetic acid
CID 3080554
Ethyl 2-pyridinecarboxylate
CID 17307

Frequently Asked Questions

What is the IUPAC name of lithium 5-ethylpyridine-2-carboxylate?
The IUPAC name of lithium 5-ethylpyridine-2-carboxylate (CID 58074033) is lithium 5-ethylpyridine-2-carboxylate.
What is the SMILES notation for lithium 5-ethylpyridine-2-carboxylate?
The canonical SMILES for lithium 5-ethylpyridine-2-carboxylate is CCc1ccc(C(=O)[O-])nc1.[Li+].
What is the InChIKey of lithium 5-ethylpyridine-2-carboxylate?
The InChIKey is ZJWBFXXTZATGNR-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NO2.Li/c1-2-6-3-4-7(8(10)11)9-5-6;/h3-5H,2H2,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of lithium 5-ethylpyridine-2-carboxylate?
lithium 5-ethylpyridine-2-carboxylate has a molecular weight of 157.10 g/mol, XLogP of -2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-ethylpyridine-2-carboxylate is sourced from PubChem (CID 58074033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).