5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine

C12H9BrF3N3 — CID 114870519

IUPAC5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
SMILESCc1cc(Nc2ccc(C(F)(F)F)nc2)ncc1Br
InChIInChI=1S/C12H9BrF3N3/c1-7-4-11(18-6-9(7)13)19-8-2-3-10(17-5-8)12(14,15)16/h2-6H,1H3,(H,18,19)
InChIKeyDNWIPSOIJRGPDM-UHFFFAOYSA-N
MW332.12 g/mol
LogP4.31
Rot. Bonds2

About 5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine

5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine (PubChem CID 114870519) has the molecular formula C12H9BrF3N3 and a molecular weight of 332.12 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
PubChem CID114870519
Molecular FormulaC12H9BrF3N3
Molecular Weight332.12 g/mol
Exact Mass330.99
IUPAC Name5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
SMILESCc1cc(Nc2ccc(C(F)(F)F)nc2)ncc1Br
InChIInChI=1S/C12H9BrF3N3/c1-7-4-11(18-6-9(7)13)19-8-2-3-10(17-5-8)12(14,15)16/h2-6H,1H3,(H,18,19)
InChIKeyDNWIPSOIJRGPDM-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 5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine (CID 114870519) is 5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine is Cc1cc(Nc2ccc(C(F)(F)F)nc2)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine?
The InChIKey is DNWIPSOIJRGPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3N3/c1-7-4-11(18-6-9(7)13)19-8-2-3-10(17-5-8)12(14,15)16/h2-6H,1H3,(H,18,19).
What are the key properties of 5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine?
5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-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 5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 114870519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).