CID 156813524

C7H6BNO2 — CID 156813524

IUPAC—
SMILES[B]c1cnc(C=O)c(OC)c1
InChIInChI=1S/C7H6BNO2/c1-11-7-2-5(8)3-9-6(7)4-10/h2-4H,1H3
InChIKeyLTKAPMQSEOPIJF-UHFFFAOYSA-N
MW146.94 g/mol
LogP-0.30
Rot. Bonds2

About CID 156813524

CID 156813524 (PubChem CID 156813524) has the molecular formula C7H6BNO2 and a molecular weight of 146.94 g/mol.

Molecular Properties

Compound NameCID 156813524
PubChem CID156813524
Molecular FormulaC7H6BNO2
Molecular Weight146.94 g/mol
Exact Mass147.05
IUPAC Name—
SMILES[B]c1cnc(C=O)c(OC)c1
InChIInChI=1S/C7H6BNO2/c1-11-7-2-5(8)3-9-6(7)4-10/h2-4H,1H3
InChIKeyLTKAPMQSEOPIJF-UHFFFAOYSA-N
XLogP-0.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.94
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 156813524 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

5-iodo-3-methoxypyridine-2-carbaldehyde
CID 130880961
5-chloro-3-methoxypyridine-2-carbaldehyde;ethane
CID 144606570
3-methoxy-5-phenylpyridine-2-carbaldehyde
CID 131304226
3-bromo-5-methoxypyridine-2-carbaldehyde
CID 83886920
4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde
CID 118834229
5-bromo-3,6-dimethoxypyridine-2-carbaldehyde
CID 176871253
5-[2-chloro-3-[3-chloro-2-(6-formyl-5-methoxy-3-pyridinyl)-4-pyridinyl]phenyl]-3-methoxypyridine-2-carbaldehyde
CID 170696962
3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde
CID 174808071
6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde
CID 118814889
4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134660144
5-bromo-3-methoxypyrazine-2-carbaldehyde
CID 139415839
6-amino-4-methoxypyridine-3-carbaldehyde
CID 168943047

Frequently Asked Questions

What is the IUPAC name of CID 156813524?
The IUPAC name of CID 156813524 (CID 156813524) is not available.
What is the SMILES notation for CID 156813524?
The canonical SMILES for CID 156813524 is [B]c1cnc(C=O)c(OC)c1.
What is the InChIKey of CID 156813524?
The InChIKey is LTKAPMQSEOPIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BNO2/c1-11-7-2-5(8)3-9-6(7)4-10/h2-4H,1H3.
What are the key properties of CID 156813524?
CID 156813524 has a molecular weight of 146.94 g/mol, XLogP of -0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156813524 is sourced from PubChem (CID 156813524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).