3-bromo-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine

C12H8BrF3N2 — CID 67000967

IUPAC3-bromo-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(C(F)(F)F)cc2)cc1Br
InChIInChI=1S/C12H8BrF3N2/c13-10-5-8(6-18-11(10)17)7-1-3-9(4-2-7)12(14,15)16/h1-6H,(H2,17,18)
InChIKeySVPYSCQEUIGBCD-UHFFFAOYSA-N
MW317.11 g/mol
LogP4.11
Rot. Bonds1

About 3-bromo-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine

3-bromo-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 67000967) has the molecular formula C12H8BrF3N2 and a molecular weight of 317.11 g/mol. Its IUPAC name is 3-bromo-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID67000967
Molecular FormulaC12H8BrF3N2
Molecular Weight317.11 g/mol
Exact Mass315.98
IUPAC Name3-bromo-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(C(F)(F)F)cc2)cc1Br
InChIInChI=1S/C12H8BrF3N2/c13-10-5-8(6-18-11(10)17)7-1-3-9(4-2-7)12(14,15)16/h1-6H,(H2,17,18)
InChIKeySVPYSCQEUIGBCD-UHFFFAOYSA-N
XLogP4.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.11
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine (CID 67000967) is 3-bromo-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine is Nc1ncc(-c2ccc(C(F)(F)F)cc2)cc1Br.
What is the InChIKey of 3-bromo-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is SVPYSCQEUIGBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2/c13-10-5-8(6-18-11(10)17)7-1-3-9(4-2-7)12(14,15)16/h1-6H,(H2,17,18).
What are the key properties of 3-bromo-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
3-bromo-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 317.11 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 67000967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).