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

C12H8BrF4N3 — CID 58259035

IUPAC5-bromo-3-fluoro-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine
SMILESFc1cc(Br)cnc1NCc1cnccc1C(F)(F)F
InChIInChI=1S/C12H8BrF4N3/c13-8-3-10(14)11(20-6-8)19-5-7-4-18-2-1-9(7)12(15,16)17/h1-4,6H,5H2,(H,19,20)
InChIKeyKUQCMLMDZNUJNN-UHFFFAOYSA-N
MW350.11 g/mol
LogP4.01
Rot. Bonds3

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

5-bromo-3-fluoro-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine (PubChem CID 58259035) has the molecular formula C12H8BrF4N3 and a molecular weight of 350.11 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine
PubChem CID58259035
Molecular FormulaC12H8BrF4N3
Molecular Weight350.11 g/mol
Exact Mass348.98
IUPAC Name5-bromo-3-fluoro-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine
SMILESFc1cc(Br)cnc1NCc1cnccc1C(F)(F)F
InChIInChI=1S/C12H8BrF4N3/c13-8-3-10(14)11(20-6-8)19-5-7-4-18-2-1-9(7)12(15,16)17/h1-4,6H,5H2,(H,19,20)
InChIKeyKUQCMLMDZNUJNN-UHFFFAOYSA-N
XLogP4.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.11
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine (CID 58259035) is 5-bromo-3-fluoro-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine is Fc1cc(Br)cnc1NCc1cnccc1C(F)(F)F.
What is the InChIKey of 5-bromo-3-fluoro-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine?
The InChIKey is KUQCMLMDZNUJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF4N3/c13-8-3-10(14)11(20-6-8)19-5-7-4-18-2-1-9(7)12(15,16)17/h1-4,6H,5H2,(H,19,20).
What are the key properties of 5-bromo-3-fluoro-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine?
5-bromo-3-fluoro-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine has a molecular weight of 350.11 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine is sourced from PubChem (CID 58259035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).