CID 87195443

C10H8AsClFN3 — CID 87195443

IUPAC—
SMILESFc1cn(C2CCC2)c2nc(Cl)nc([As])c12
InChIInChI=1S/C10H8AsClFN3/c11-8-7-6(13)4-16(5-2-1-3-5)9(7)15-10(12)14-8/h4-5H,1-3H2
InChIKeyRPKGAEFQXRQCTQ-UHFFFAOYSA-N
MW299.57 g/mol
LogP1.74
Rot. Bonds1

About CID 87195443

CID 87195443 (PubChem CID 87195443) has the molecular formula C10H8AsClFN3 and a molecular weight of 299.57 g/mol.

Molecular Properties

Compound NameCID 87195443
PubChem CID87195443
Molecular FormulaC10H8AsClFN3
Molecular Weight299.57 g/mol
Exact Mass298.96
IUPAC Name—
SMILESFc1cn(C2CCC2)c2nc(Cl)nc([As])c12
InChIInChI=1S/C10H8AsClFN3/c11-8-7-6(13)4-16(5-2-1-3-5)9(7)15-10(12)14-8/h4-5H,1-3H2
InChIKeyRPKGAEFQXRQCTQ-UHFFFAOYSA-N
XLogP1.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.57
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 58279576
7-Propan-2-yl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 22965287
2-chloro-N-cyclobutyl-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 57990370
5-Fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 59267238
5-Fluoro-2-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 66798329
7-(2-Fluoroethyl)pyrrolo[2,3-d]pyrimidine
CID 67304529
5-Fluoro-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 69779042
4-Chloro-5-iodo-7-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 117697074
4-Chloro-5-iodo-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidine
CID 117697086
5-Iodo-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 117697117
4-Chloro-7-(2-fluoroethyl)-5-iodopyrrolo[2,3-d]pyrimidine
CID 117697140
5-Iodo-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 117697142

Frequently Asked Questions

What is the IUPAC name of CID 87195443?
The IUPAC name of CID 87195443 (CID 87195443) is not available.
What is the SMILES notation for CID 87195443?
The canonical SMILES for CID 87195443 is Fc1cn(C2CCC2)c2nc(Cl)nc([As])c12.
What is the InChIKey of CID 87195443?
The InChIKey is RPKGAEFQXRQCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8AsClFN3/c11-8-7-6(13)4-16(5-2-1-3-5)9(7)15-10(12)14-8/h4-5H,1-3H2.
What are the key properties of CID 87195443?
CID 87195443 has a molecular weight of 299.57 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87195443 is sourced from PubChem (CID 87195443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).