CID 142605326

C10H8BN2O2 — CID 142605326

IUPAC—
SMILESO=C(O)c1cnc2c(c1)[B]C(C1CC1)=N2
InChIInChI=1S/C10H8BN2O2/c14-10(15)6-3-7-9(12-4-6)13-8(11-7)5-1-2-5/h3-5H,1-2H2,(H,14,15)
InChIKeyKKTLZFQIKFRYOB-UHFFFAOYSA-N
MW199.00 g/mol
LogP0.56
Rot. Bonds2

About CID 142605326

CID 142605326 (PubChem CID 142605326) has the molecular formula C10H8BN2O2 and a molecular weight of 199.00 g/mol.

Molecular Properties

Compound NameCID 142605326
PubChem CID142605326
Molecular FormulaC10H8BN2O2
Molecular Weight199.00 g/mol
Exact Mass199.07
IUPAC Name—
SMILESO=C(O)c1cnc2c(c1)[B]C(C1CC1)=N2
InChIInChI=1S/C10H8BN2O2/c14-10(15)6-3-7-9(12-4-6)13-8(11-7)5-1-2-5/h3-5H,1-2H2,(H,14,15)
InChIKeyKKTLZFQIKFRYOB-UHFFFAOYSA-N
XLogP0.56
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.00
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 142605351
CID 142605351
6-cyclobutyloxy-5-cyclopropylpyridine-3-carboxylic acid
CID 89444053
3-cyclopropyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 83881393
2-cyclopropyloxypyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 164554642
5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid
CID 118394075
5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid
CID 125491947
(1S,8S)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carboxylic acid
CID 124564050
7-cyclobutyl-6-methylquinoline-3-carboxylic acid
CID 129275964
3-cyclopropyl-2-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 83910073
6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid
CID 80631026
2-amino-3-cyclopropylquinoline-6-carboxylic acid
CID 171618620
5-methyl-6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 80631277

Frequently Asked Questions

What is the IUPAC name of CID 142605326?
The IUPAC name of CID 142605326 (CID 142605326) is not available.
What is the SMILES notation for CID 142605326?
The canonical SMILES for CID 142605326 is O=C(O)c1cnc2c(c1)[B]C(C1CC1)=N2.
What is the InChIKey of CID 142605326?
The InChIKey is KKTLZFQIKFRYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BN2O2/c14-10(15)6-3-7-9(12-4-6)13-8(11-7)5-1-2-5/h3-5H,1-2H2,(H,14,15).
What are the key properties of CID 142605326?
CID 142605326 has a molecular weight of 199.00 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142605326 is sourced from PubChem (CID 142605326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).