CID 119080865

C14H10BN4 — CID 119080865

IUPAC—
SMILES[B](n1ncc2ccccc21)n1ncc2ccccc21
InChIInChI=1S/C14H10BN4/c1-3-7-13-11(5-1)9-16-18(13)15-19-14-8-4-2-6-12(14)10-17-19/h1-10H
InChIKeyBKNMKJFPGXZNCD-UHFFFAOYSA-N
MW245.07 g/mol
LogP2.32
Rot. Bonds2

About CID 119080865

CID 119080865 (PubChem CID 119080865) has the molecular formula C14H10BN4 and a molecular weight of 245.07 g/mol.

Molecular Properties

Compound NameCID 119080865
PubChem CID119080865
Molecular FormulaC14H10BN4
Molecular Weight245.07 g/mol
Exact Mass245.10
IUPAC Name—
SMILES[B](n1ncc2ccccc21)n1ncc2ccccc21
InChIInChI=1S/C14H10BN4/c1-3-7-13-11(5-1)9-16-18(13)15-19-14-8-4-2-6-12(14)10-17-19/h1-10H
InChIKeyBKNMKJFPGXZNCD-UHFFFAOYSA-N
XLogP2.32
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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indazole-1-carboxamide;trihydrochloride
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indazol-1-yl(dimethyl)alumane
CID 16692298
N-methylindazol-1-amine
CID 15129846
1,2-di(indazol-1-yl)ethane-1,2-dione
CID 139197503
1-ethynylindazole
CID 118207133
cobalt;1-ethylindazole
CID 58657391
1-ethylindazole;propane
CID 143188130

Frequently Asked Questions

What is the IUPAC name of CID 119080865?
The IUPAC name of CID 119080865 (CID 119080865) is not available.
What is the SMILES notation for CID 119080865?
The canonical SMILES for CID 119080865 is [B](n1ncc2ccccc21)n1ncc2ccccc21.
What is the InChIKey of CID 119080865?
The InChIKey is BKNMKJFPGXZNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BN4/c1-3-7-13-11(5-1)9-16-18(13)15-19-14-8-4-2-6-12(14)10-17-19/h1-10H.
What are the key properties of CID 119080865?
CID 119080865 has a molecular weight of 245.07 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119080865 is sourced from PubChem (CID 119080865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).