CID 66868100

C7H7LiNO2 — CID 66868100

IUPAC—
SMILESO=C(O)Cc1cccnc1.[Li]
InChIInChI=1S/C7H7NO2.Li/c9-7(10)4-6-2-1-3-8-5-6;/h1-3,5H,4H2,(H,9,10);
InChIKeyZZMHIOZGDUZCMC-UHFFFAOYSA-N
MW144.08 g/mol
LogP0.33
Rot. Bonds2

About CID 66868100

CID 66868100 (PubChem CID 66868100) has the molecular formula C7H7LiNO2 and a molecular weight of 144.08 g/mol.

Molecular Properties

Compound NameCID 66868100
PubChem CID66868100
Molecular FormulaC7H7LiNO2
Molecular Weight144.08 g/mol
Exact Mass144.06
IUPAC Name—
SMILESO=C(O)Cc1cccnc1.[Li]
InChIInChI=1S/C7H7NO2.Li/c9-7(10)4-6-2-1-3-8-5-6;/h1-3,5H,4H2,(H,9,10);
InChIKeyZZMHIOZGDUZCMC-UHFFFAOYSA-N
XLogP0.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.08
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035
2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid
CID 63913163
2-pyridin-3-ylacetyl chloride
CID 14697475
3-pyridin-3-yl-2-sulfanylidenepropanoic acid
CID 7376223
3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 67329500
2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid
CID 107339387
2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid
CID 43358510
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 134384658
2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62688977
2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid
CID 79457634
2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid
CID 62534222

Frequently Asked Questions

What is the IUPAC name of CID 66868100?
The IUPAC name of CID 66868100 (CID 66868100) is not available.
What is the SMILES notation for CID 66868100?
The canonical SMILES for CID 66868100 is O=C(O)Cc1cccnc1.[Li].
What is the InChIKey of CID 66868100?
The InChIKey is ZZMHIOZGDUZCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.Li/c9-7(10)4-6-2-1-3-8-5-6;/h1-3,5H,4H2,(H,9,10);.
What are the key properties of CID 66868100?
CID 66868100 has a molecular weight of 144.08 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66868100 is sourced from PubChem (CID 66868100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).