3-bromo-4-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine

C10H11BrF3N3 — CID 114159603

IUPAC3-bromo-4-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine
SMILESCc1c(N)cnc(NC2(C(F)(F)F)CC2)c1Br
InChIInChI=1S/C10H11BrF3N3/c1-5-6(15)4-16-8(7(5)11)17-9(2-3-9)10(12,13)14/h4H,2-3,15H2,1H3,(H,16,17)
InChIKeyWKYOWSUMQRSCFV-UHFFFAOYSA-N
MW310.12 g/mol
LogP3.24
Rot. Bonds2

About 3-bromo-4-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine

3-bromo-4-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine (PubChem CID 114159603) has the molecular formula C10H11BrF3N3 and a molecular weight of 310.12 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine
PubChem CID114159603
Molecular FormulaC10H11BrF3N3
Molecular Weight310.12 g/mol
Exact Mass309.01
IUPAC Name3-bromo-4-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine
SMILESCc1c(N)cnc(NC2(C(F)(F)F)CC2)c1Br
InChIInChI=1S/C10H11BrF3N3/c1-5-6(15)4-16-8(7(5)11)17-9(2-3-9)10(12,13)14/h4H,2-3,15H2,1H3,(H,16,17)
InChIKeyWKYOWSUMQRSCFV-UHFFFAOYSA-N
XLogP3.24
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine?
The IUPAC name of 3-bromo-4-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine (CID 114159603) is 3-bromo-4-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-4-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-4-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine is Cc1c(N)cnc(NC2(C(F)(F)F)CC2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine?
The InChIKey is WKYOWSUMQRSCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N3/c1-5-6(15)4-16-8(7(5)11)17-9(2-3-9)10(12,13)14/h4H,2-3,15H2,1H3,(H,16,17).
What are the key properties of 3-bromo-4-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine?
3-bromo-4-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine has a molecular weight of 310.12 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine is sourced from PubChem (CID 114159603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).