5-bromo-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C7H5BrF3N3O2 — CID 61229223

IUPAC5-bromo-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cc(Br)cnc1NCC(F)(F)F
InChIInChI=1S/C7H5BrF3N3O2/c8-4-1-5(14(15)16)6(12-2-4)13-3-7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyKFDRAZAQYBSBSM-UHFFFAOYSA-N
MW300.03 g/mol
LogP2.73
Rot. Bonds3

About 5-bromo-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine

5-bromo-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 61229223) has the molecular formula C7H5BrF3N3O2 and a molecular weight of 300.03 g/mol. Its IUPAC name is 5-bromo-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID61229223
Molecular FormulaC7H5BrF3N3O2
Molecular Weight300.03 g/mol
Exact Mass298.95
IUPAC Name5-bromo-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cc(Br)cnc1NCC(F)(F)F
InChIInChI=1S/C7H5BrF3N3O2/c8-4-1-5(14(15)16)6(12-2-4)13-3-7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyKFDRAZAQYBSBSM-UHFFFAOYSA-N
XLogP2.73
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.03
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[(5-bromo-3-nitro-2-pyridinyl)amino]methyl]-2-ethylbutanoic acid
CID 115430155
3-[(5-bromo-3-nitro-2-pyridinyl)amino]propanoic acid
CID 61229415
4-[(5-bromo-3-nitro-2-pyridinyl)amino]-2,2-dimethylbutanoic acid
CID 114285521
5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine
CID 61227864
5-bromo-N-(2-methylsulfinylethyl)-3-nitropyridin-2-amine
CID 75381292
5-bromo-N-[2-[(R)-methylsulfinyl]ethyl]-3-nitropyridin-2-amine
CID 97227168
2-[[(5-bromo-3-nitro-2-pyridinyl)amino]methyl]phenol
CID 115698431
N-(5-bromo-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 113282676
1-[[(5-bromo-3-nitro-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312185
5-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-nitropyridin-2-amine
CID 61228843
5-bromo-N-(4-bromophenyl)-3-nitropyridin-2-amine
CID 63462190
4-[(5-bromo-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 80539678

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 61229223) is 5-bromo-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine is O=[N+]([O-])c1cc(Br)cnc1NCC(F)(F)F.
What is the InChIKey of 5-bromo-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is KFDRAZAQYBSBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3N3O2/c8-4-1-5(14(15)16)6(12-2-4)13-3-7(9,10)11/h1-2H,3H2,(H,12,13).
What are the key properties of 5-bromo-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
5-bromo-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 300.03 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 61229223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).