3-amino-6-bromo-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide

C10H8BrF6N3O — CID 166631533

IUPAC3-amino-6-bromo-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
SMILESNc1cc(C(F)(F)F)c(Br)nc1C(=O)NCCC(F)(F)F
InChIInChI=1S/C10H8BrF6N3O/c11-7-4(10(15,16)17)3-5(18)6(20-7)8(21)19-2-1-9(12,13)14/h3H,1-2,18H2,(H,19,21)
InChIKeyZICKSCRQYGDDGI-UHFFFAOYSA-N
MW380.09 g/mol
LogP3.13
Rot. Bonds3

About 3-amino-6-bromo-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide

3-amino-6-bromo-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide (PubChem CID 166631533) has the molecular formula C10H8BrF6N3O and a molecular weight of 380.09 g/mol. Its IUPAC name is 3-amino-6-bromo-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-bromo-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
PubChem CID166631533
Molecular FormulaC10H8BrF6N3O
Molecular Weight380.09 g/mol
Exact Mass378.98
IUPAC Name3-amino-6-bromo-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
SMILESNc1cc(C(F)(F)F)c(Br)nc1C(=O)NCCC(F)(F)F
InChIInChI=1S/C10H8BrF6N3O/c11-7-4(10(15,16)17)3-5(18)6(20-7)8(21)19-2-1-9(12,13)14/h3H,1-2,18H2,(H,19,21)
InChIKeyZICKSCRQYGDDGI-UHFFFAOYSA-N
XLogP3.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.09
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-bromo-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide (CID 166631533) is 3-amino-6-bromo-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-bromo-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-bromo-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide is Nc1cc(C(F)(F)F)c(Br)nc1C(=O)NCCC(F)(F)F.
What is the InChIKey of 3-amino-6-bromo-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide?
The InChIKey is ZICKSCRQYGDDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF6N3O/c11-7-4(10(15,16)17)3-5(18)6(20-7)8(21)19-2-1-9(12,13)14/h3H,1-2,18H2,(H,19,21).
What are the key properties of 3-amino-6-bromo-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide?
3-amino-6-bromo-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide has a molecular weight of 380.09 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide is sourced from PubChem (CID 166631533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).