CID 142991436

C6H5AlN2O2 — CID 142991436

IUPAC—
SMILESNc1nc([Al])ccc1C(=O)O
InChIInChI=1S/C6H5N2O2.Al/c7-5-4(6(9)10)2-1-3-8-5;/h1-2H,(H2,7,8)(H,9,10);
InChIKeyHLNKWXOHYOAEIL-UHFFFAOYSA-N
MW164.10 g/mol
LogP-0.84
Rot. Bonds1

About CID 142991436

CID 142991436 (PubChem CID 142991436) has the molecular formula C6H5AlN2O2 and a molecular weight of 164.10 g/mol.

Molecular Properties

Compound NameCID 142991436
PubChem CID142991436
Molecular FormulaC6H5AlN2O2
Molecular Weight164.10 g/mol
Exact Mass164.02
IUPAC Name—
SMILESNc1nc([Al])ccc1C(=O)O
InChIInChI=1S/C6H5N2O2.Al/c7-5-4(6(9)10)2-1-3-8-5;/h1-2H,(H2,7,8)(H,9,10);
InChIKeyHLNKWXOHYOAEIL-UHFFFAOYSA-N
XLogP-0.84
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.10
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze CID 142991436 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride
CID 173014612
2-amino-6-fluoropyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;methane
CID 159262243
2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid
CID 174707233
lithium;2-amino-6-chloropyridine-3-carboxylate;2,6-dichloropyridine-3-carboxylic acid
CID 158642535
2-amino-6-chloropyridine-3-carboxamide
CID 22607643
4-amino-2-chloropyrimidine-5-carboxylic acid
CID 46863895
naphthalene;naphthalene-1,4,5,8-tetracarboxylic acid
CID 160598160
2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid
CID 59811149
2-amino-8-methoxyquinoline-3-carboxylic acid
CID 84622747
naphthalene;phthalic acid
CID 158069637
2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid
CID 165124028
2-hydroxybenzoic acid;1,3,5-triazine-2,4,6-triamine
CID 158932833

Frequently Asked Questions

What is the IUPAC name of CID 142991436?
The IUPAC name of CID 142991436 (CID 142991436) is not available.
What is the SMILES notation for CID 142991436?
The canonical SMILES for CID 142991436 is Nc1nc([Al])ccc1C(=O)O.
What is the InChIKey of CID 142991436?
The InChIKey is HLNKWXOHYOAEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N2O2.Al/c7-5-4(6(9)10)2-1-3-8-5;/h1-2H,(H2,7,8)(H,9,10);.
What are the key properties of CID 142991436?
CID 142991436 has a molecular weight of 164.10 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142991436 is sourced from PubChem (CID 142991436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).