CID 154643125

C13H9BF2N2O2S2 — CID 154643125

IUPAC—
SMILES[B]C(O)(SF)Sc1cc(NC(=O)c2ccccn2)ccc1F
InChIInChI=1S/C13H9BF2N2O2S2/c14-13(20,22-16)21-11-7-8(4-5-9(11)15)18-12(19)10-3-1-2-6-17-10/h1-7,20H,(H,18,19)
InChIKeyCRBFQCFUDOQWGN-UHFFFAOYSA-N
MW338.17 g/mol
LogP2.95
Rot. Bonds5

About CID 154643125

CID 154643125 (PubChem CID 154643125) has the molecular formula C13H9BF2N2O2S2 and a molecular weight of 338.17 g/mol.

Molecular Properties

Compound NameCID 154643125
PubChem CID154643125
Molecular FormulaC13H9BF2N2O2S2
Molecular Weight338.17 g/mol
Exact Mass338.02
IUPAC Name—
SMILES[B]C(O)(SF)Sc1cc(NC(=O)c2ccccn2)ccc1F
InChIInChI=1S/C13H9BF2N2O2S2/c14-13(20,22-16)21-11-7-8(4-5-9(11)15)18-12(19)10-3-1-2-6-17-10/h1-7,20H,(H,18,19)
InChIKeyCRBFQCFUDOQWGN-UHFFFAOYSA-N
XLogP2.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze CID 154643125 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

N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
N-[3-(aminomethyl)-4-fluorophenyl]pyridine-2-carboxamide
CID 62317302
N-[3-[dideuterio(fluoro)methyl]sulfanyl-4-fluorophenyl]pyridine-2-carbothioamide
CID 164738405
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
N-(4-benzoylphenyl)pyridine-2-carboxamide
CID 157248993
N-(3-amino-4-methylphenyl)pyridine-2-carboxamide
CID 24707912
N-[3-(1-aminoethyl)phenyl]pyridine-2-carboxamide
CID 16785087
N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 142487155
N-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 73058453
N-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 10493507
N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide
CID 82884387

Frequently Asked Questions

What is the IUPAC name of CID 154643125?
The IUPAC name of CID 154643125 (CID 154643125) is not available.
What is the SMILES notation for CID 154643125?
The canonical SMILES for CID 154643125 is [B]C(O)(SF)Sc1cc(NC(=O)c2ccccn2)ccc1F.
What is the InChIKey of CID 154643125?
The InChIKey is CRBFQCFUDOQWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BF2N2O2S2/c14-13(20,22-16)21-11-7-8(4-5-9(11)15)18-12(19)10-3-1-2-6-17-10/h1-7,20H,(H,18,19).
What are the key properties of CID 154643125?
CID 154643125 has a molecular weight of 338.17 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154643125 is sourced from PubChem (CID 154643125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).