CID 143877823

C16H13BNO2 — CID 143877823

IUPAC—
SMILESO[B]c1ccc2nc(OCc3ccccc3)ccc2c1
InChIInChI=1S/C16H13BNO2/c19-17-14-7-8-15-13(10-14)6-9-16(18-15)20-11-12-4-2-1-3-5-12/h1-10,19H,11H2
InChIKeyMSUNBCRDMLATGR-UHFFFAOYSA-N
MW262.10 g/mol
LogP2.05
Rot. Bonds4

About CID 143877823

CID 143877823 (PubChem CID 143877823) has the molecular formula C16H13BNO2 and a molecular weight of 262.10 g/mol.

Molecular Properties

Compound NameCID 143877823
PubChem CID143877823
Molecular FormulaC16H13BNO2
Molecular Weight262.10 g/mol
Exact Mass262.10
IUPAC Name—
SMILESO[B]c1ccc2nc(OCc3ccccc3)ccc2c1
InChIInChI=1S/C16H13BNO2/c19-17-14-7-8-15-13(10-14)6-9-16(18-15)20-11-12-4-2-1-3-5-12/h1-10,19H,11H2
InChIKeyMSUNBCRDMLATGR-UHFFFAOYSA-N
XLogP2.05
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 52.05
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

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5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine
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CID 125115954
2-methyl-6-phenylmethoxyquinoline
CID 82580854
6-phenylmethoxypyridine-2,3-diamine
CID 67311804
2-chloro-7-phenylmethoxy-1,8-naphthyridine
CID 21073265
3-phenyl-5-phenylmethoxyimidazo[4,5-b]pyridine
CID 67312864
4-(chloromethyl)-2-phenylmethoxyquinoline
CID 61257867
2-tert-butyl-5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine
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Frequently Asked Questions

What is the IUPAC name of CID 143877823?
The IUPAC name of CID 143877823 (CID 143877823) is not available.
What is the SMILES notation for CID 143877823?
The canonical SMILES for CID 143877823 is O[B]c1ccc2nc(OCc3ccccc3)ccc2c1.
What is the InChIKey of CID 143877823?
The InChIKey is MSUNBCRDMLATGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BNO2/c19-17-14-7-8-15-13(10-14)6-9-16(18-15)20-11-12-4-2-1-3-5-12/h1-10,19H,11H2.
What are the key properties of CID 143877823?
CID 143877823 has a molecular weight of 262.10 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143877823 is sourced from PubChem (CID 143877823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).