N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine

C10H7BrClFN4O — CID 62859689

IUPACN-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(Nc2cc(Br)ccc2F)n1
InChIInChI=1S/C10H7BrClFN4O/c1-18-10-16-8(12)15-9(17-10)14-7-4-5(11)2-3-6(7)13/h2-4H,1H3,(H,14,15,16,17)
InChIKeyHSOZXVANADXFIA-UHFFFAOYSA-N
MW333.55 g/mol
LogP3.18
Rot. Bonds3

About N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine

N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 62859689) has the molecular formula C10H7BrClFN4O and a molecular weight of 333.55 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
PubChem CID62859689
Molecular FormulaC10H7BrClFN4O
Molecular Weight333.55 g/mol
Exact Mass331.95
IUPAC NameN-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(Nc2cc(Br)ccc2F)n1
InChIInChI=1S/C10H7BrClFN4O/c1-18-10-16-8(12)15-9(17-10)14-7-4-5(11)2-3-6(7)13/h2-4H,1H3,(H,14,15,16,17)
InChIKeyHSOZXVANADXFIA-UHFFFAOYSA-N
XLogP3.18
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.55
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine (CID 62859689) is N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine is COc1nc(Cl)nc(Nc2cc(Br)ccc2F)n1.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is HSOZXVANADXFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClFN4O/c1-18-10-16-8(12)15-9(17-10)14-7-4-5(11)2-3-6(7)13/h2-4H,1H3,(H,14,15,16,17).
What are the key properties of N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 333.55 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62859689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).