CID 58766107

C7H7Cl2N3O — CID 58766107

IUPAC—
SMILES[CH]CCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H7Cl2N3O/c1-2-3-4-13-7-11-5(8)10-6(9)12-7/h1H,2-4H2
InChIKeyIYOGVQLNMOEYIJ-UHFFFAOYSA-N
MW220.06 g/mol
LogP2.05
Rot. Bonds4

About CID 58766107

CID 58766107 (PubChem CID 58766107) has the molecular formula C7H7Cl2N3O and a molecular weight of 220.06 g/mol.

Molecular Properties

Compound NameCID 58766107
PubChem CID58766107
Molecular FormulaC7H7Cl2N3O
Molecular Weight220.06 g/mol
Exact Mass219.00
IUPAC Name—
SMILES[CH]CCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H7Cl2N3O/c1-2-3-4-13-7-11-5(8)10-6(9)12-7/h1H,2-4H2
InChIKeyIYOGVQLNMOEYIJ-UHFFFAOYSA-N
XLogP2.05
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Butoxy-4,6-dichloro-1,3,5-triazine
CID 26302
2,4-Dichloro-6-isopropoxy-1,3,5-triazine
CID 23154
2,4-Dichloro-6-ethoxy-1,3,5-triazine
CID 29035
2,4-Dichloro-6-propoxy-1,3,5-triazine
CID 33570
2-Chloro-4,6-diethoxy-1,3,5-triazine
CID 35649
2-(2-Chloroethoxy)-4,6-dichloro-symm-triazine
CID 12591581
2,4-Dichloro-6-(2-methoxyethoxy)-1,3,5-triazine
CID 19026146
2,4-Dichloro-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
CID 62859410
2,4-Dichloro-6-pentoxy-1,3,5-triazine
CID 14916844
2,4-Dichloro-6-(2-fluoroethoxy)-1,3,5-triazine
CID 71327577
2,4-Dichloro-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine
CID 82790207
2,4-Dichloro-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine
CID 82956042

Frequently Asked Questions

What is the IUPAC name of CID 58766107?
The IUPAC name of CID 58766107 (CID 58766107) is not available.
What is the SMILES notation for CID 58766107?
The canonical SMILES for CID 58766107 is [CH]CCCOc1nc(Cl)nc(Cl)n1.
What is the InChIKey of CID 58766107?
The InChIKey is IYOGVQLNMOEYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N3O/c1-2-3-4-13-7-11-5(8)10-6(9)12-7/h1H,2-4H2.
What are the key properties of CID 58766107?
CID 58766107 has a molecular weight of 220.06 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58766107 is sourced from PubChem (CID 58766107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).