N-(5-bromo-2-pyridinyl)-2-methyl-4-(trifluoromethyl)pyridin-3-amine

C12H9BrF3N3 — CID 67135075

IUPACN-(5-bromo-2-pyridinyl)-2-methyl-4-(trifluoromethyl)pyridin-3-amine
SMILESCc1nccc(C(F)(F)F)c1Nc1ccc(Br)cn1
InChIInChI=1S/C12H9BrF3N3/c1-7-11(9(4-5-17-7)12(14,15)16)19-10-3-2-8(13)6-18-10/h2-6H,1H3,(H,18,19)
InChIKeyZWZJMXQNFFIRSW-UHFFFAOYSA-N
MW332.12 g/mol
LogP4.31
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-2-methyl-4-(trifluoromethyl)pyridin-3-amine

N-(5-bromo-2-pyridinyl)-2-methyl-4-(trifluoromethyl)pyridin-3-amine (PubChem CID 67135075) has the molecular formula C12H9BrF3N3 and a molecular weight of 332.12 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-methyl-4-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-methyl-4-(trifluoromethyl)pyridin-3-amine
PubChem CID67135075
Molecular FormulaC12H9BrF3N3
Molecular Weight332.12 g/mol
Exact Mass330.99
IUPAC NameN-(5-bromo-2-pyridinyl)-2-methyl-4-(trifluoromethyl)pyridin-3-amine
SMILESCc1nccc(C(F)(F)F)c1Nc1ccc(Br)cn1
InChIInChI=1S/C12H9BrF3N3/c1-7-11(9(4-5-17-7)12(14,15)16)19-10-3-2-8(13)6-18-10/h2-6H,1H3,(H,18,19)
InChIKeyZWZJMXQNFFIRSW-UHFFFAOYSA-N
XLogP4.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-methyl-4-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-methyl-4-(trifluoromethyl)pyridin-3-amine (CID 67135075) is N-(5-bromo-2-pyridinyl)-2-methyl-4-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-methyl-4-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-methyl-4-(trifluoromethyl)pyridin-3-amine is Cc1nccc(C(F)(F)F)c1Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-methyl-4-(trifluoromethyl)pyridin-3-amine?
The InChIKey is ZWZJMXQNFFIRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3N3/c1-7-11(9(4-5-17-7)12(14,15)16)19-10-3-2-8(13)6-18-10/h2-6H,1H3,(H,18,19).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-methyl-4-(trifluoromethyl)pyridin-3-amine?
N-(5-bromo-2-pyridinyl)-2-methyl-4-(trifluoromethyl)pyridin-3-amine has a molecular weight of 332.12 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-methyl-4-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 67135075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).