CID 154643103

C12H10BClN3OS — CID 154643103

IUPAC—
SMILESNc1cccnc1C(=O)Nc1ccc(Cl)c([B]S)c1
InChIInChI=1S/C12H10BClN3OS/c14-9-4-3-7(6-8(9)13-19)17-12(18)11-10(15)2-1-5-16-11/h1-6,19H,15H2,(H,17,18)
InChIKeyIJTLFLKNIVUZIQ-UHFFFAOYSA-N
MW290.56 g/mol
LogP1.74
Rot. Bonds3

About CID 154643103

CID 154643103 (PubChem CID 154643103) has the molecular formula C12H10BClN3OS and a molecular weight of 290.56 g/mol.

Molecular Properties

Compound NameCID 154643103
PubChem CID154643103
Molecular FormulaC12H10BClN3OS
Molecular Weight290.56 g/mol
Exact Mass290.03
IUPAC Name—
SMILESNc1cccnc1C(=O)Nc1ccc(Cl)c([B]S)c1
InChIInChI=1S/C12H10BClN3OS/c14-9-4-3-7(6-8(9)13-19)17-12(18)11-10(15)2-1-5-16-11/h1-6,19H,15H2,(H,17,18)
InChIKeyIJTLFLKNIVUZIQ-UHFFFAOYSA-N
XLogP1.74
TPSA68.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.56
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 104741490
3-amino-N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carboxamide
CID 164738387
3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide
CID 104741358
3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide
CID 103094260
4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid
CID 104742777
3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741844
3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 104740959
N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide
CID 104741465
2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270655
3-amino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 104740905
3-amino-N-[3-(sulfamoylamino)phenyl]pyridine-2-carboxamide
CID 104741346
3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-2-carboxamide
CID 104740829

Frequently Asked Questions

What is the IUPAC name of CID 154643103?
The IUPAC name of CID 154643103 (CID 154643103) is not available.
What is the SMILES notation for CID 154643103?
The canonical SMILES for CID 154643103 is Nc1cccnc1C(=O)Nc1ccc(Cl)c([B]S)c1.
What is the InChIKey of CID 154643103?
The InChIKey is IJTLFLKNIVUZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BClN3OS/c14-9-4-3-7(6-8(9)13-19)17-12(18)11-10(15)2-1-5-16-11/h1-6,19H,15H2,(H,17,18).
What are the key properties of CID 154643103?
CID 154643103 has a molecular weight of 290.56 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154643103 is sourced from PubChem (CID 154643103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).