CID 59526771

C8H5Cl2N4- — CID 59526771

IUPAC—
SMILES[CH2-]n1nnc(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C8H5Cl2N4/c1-14-12-8(11-13-14)6-4-5(9)2-3-7(6)10/h2-4H,1H2/q-1
InChIKeyJFDCKFJJVWZCRI-UHFFFAOYSA-N
MW228.06 g/mol
LogP2.29
Rot. Bonds1

About CID 59526771

CID 59526771 (PubChem CID 59526771) has the molecular formula C8H5Cl2N4- and a molecular weight of 228.06 g/mol.

Molecular Properties

Compound NameCID 59526771
PubChem CID59526771
Molecular FormulaC8H5Cl2N4-
Molecular Weight228.06 g/mol
Exact Mass226.99
IUPAC Name—
SMILES[CH2-]n1nnc(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C8H5Cl2N4/c1-14-12-8(11-13-14)6-4-5(9)2-3-7(6)10/h2-4H,1H2/q-1
InChIKeyJFDCKFJJVWZCRI-UHFFFAOYSA-N
XLogP2.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.06
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 59526789
CID 59526789
6-chloro-3-(2,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43327057
5-(2,4-dichlorophenyl)-2-prop-2-enyltetrazole
CID 117063790
CID 59526706
CID 59526706
[3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 71829645
methane;1,2,4-trichlorobenzene
CID 157397102
5-(4-chloro-2-fluorophenyl)-2-cyclopropyltetrazole
CID 178043547
4-(2,5-dichlorophenyl)pyrimidine
CID 130088774
2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile
CID 133094822
6-(2,5-dichlorophenyl)pyridazine-3,5-diamine
CID 90979911
5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198012
2-(2,5-dichlorophenyl)-5-fluoropyridine
CID 118836279

Frequently Asked Questions

What is the IUPAC name of CID 59526771?
The IUPAC name of CID 59526771 (CID 59526771) is not available.
What is the SMILES notation for CID 59526771?
The canonical SMILES for CID 59526771 is [CH2-]n1nnc(-c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of CID 59526771?
The InChIKey is JFDCKFJJVWZCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N4/c1-14-12-8(11-13-14)6-4-5(9)2-3-7(6)10/h2-4H,1H2/q-1.
What are the key properties of CID 59526771?
CID 59526771 has a molecular weight of 228.06 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59526771 is sourced from PubChem (CID 59526771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).