CID 87847781

C9H13AsN — CID 87847781

IUPAC—
SMILESCCCC[As]c1cccnc1
InChIInChI=1S/C9H13AsN/c1-2-3-6-10-9-5-4-7-11-8-9/h4-5,7-8H,2-3,6H2,1H3
InChIKeyQYJRSZVAGOGHSB-UHFFFAOYSA-N
MW210.13 g/mol
LogP1.63
Rot. Bonds4

About CID 87847781

CID 87847781 (PubChem CID 87847781) has the molecular formula C9H13AsN and a molecular weight of 210.13 g/mol.

Molecular Properties

Compound NameCID 87847781
PubChem CID87847781
Molecular FormulaC9H13AsN
Molecular Weight210.13 g/mol
Exact Mass210.03
IUPAC Name—
SMILESCCCC[As]c1cccnc1
InChIInChI=1S/C9H13AsN/c1-2-3-6-10-9-5-4-7-11-8-9/h4-5,7-8H,2-3,6H2,1H3
InChIKeyQYJRSZVAGOGHSB-UHFFFAOYSA-N
XLogP1.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pyridin-3-ylpentan-1-one
CID 12648543
3-octadecoxypyridine
CID 175800212
N-octadecylpyridine-3-carboxamide
CID 3547337
1-pyridin-3-ylundecan-1-one
CID 19756112
3-(5-methylnonan-5-yl)pyridine
CID 139543665
1-pyridin-3-ylpentan-1-imine
CID 19790330
3-tridecan-7-ylpyridine
CID 129119745
3-[(3S)-heptan-3-yl]pyridine
CID 134862290
3-(2-methyloctan-2-yl)pyridine
CID 126558457
dimethyl-octyl-pyridin-3-ylsilane
CID 11196014
3-decan-5-ylpyridine
CID 170375029
3-[(E)-1-phenylhex-1-enyl]pyridine
CID 67869388

Frequently Asked Questions

What is the IUPAC name of CID 87847781?
The IUPAC name of CID 87847781 (CID 87847781) is not available.
What is the SMILES notation for CID 87847781?
The canonical SMILES for CID 87847781 is CCCC[As]c1cccnc1.
What is the InChIKey of CID 87847781?
The InChIKey is QYJRSZVAGOGHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13AsN/c1-2-3-6-10-9-5-4-7-11-8-9/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of CID 87847781?
CID 87847781 has a molecular weight of 210.13 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87847781 is sourced from PubChem (CID 87847781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).