2-[(3-bromo-5-nitro-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol

C9H10BrF2N3O3 — CID 107484213

IUPAC2-[(3-bromo-5-nitro-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
SMILESO=[N+]([O-])c1cnc(N(CCO)CC(F)F)c(Br)c1
InChIInChI=1S/C9H10BrF2N3O3/c10-7-3-6(15(17)18)4-13-9(7)14(1-2-16)5-8(11)12/h3-4,8,16H,1-2,5H2
InChIKeyUEPDLMGAOAAKLE-UHFFFAOYSA-N
MW326.10 g/mol
LogP1.82
Rot. Bonds6

About 2-[(3-bromo-5-nitro-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol

2-[(3-bromo-5-nitro-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107484213) has the molecular formula C9H10BrF2N3O3 and a molecular weight of 326.10 g/mol. Its IUPAC name is 2-[(3-bromo-5-nitro-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-bromo-5-nitro-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107484213
Molecular FormulaC9H10BrF2N3O3
Molecular Weight326.10 g/mol
Exact Mass324.99
IUPAC Name2-[(3-bromo-5-nitro-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
SMILESO=[N+]([O-])c1cnc(N(CCO)CC(F)F)c(Br)c1
InChIInChI=1S/C9H10BrF2N3O3/c10-7-3-6(15(17)18)4-13-9(7)14(1-2-16)5-8(11)12/h3-4,8,16H,1-2,5H2
InChIKeyUEPDLMGAOAAKLE-UHFFFAOYSA-N
XLogP1.82
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.10
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 107480069
2-[3-amino-N-(2,2-difluoroethyl)-5-nitroanilino]ethanol
CID 107495054
3-bromo-2-(difluoromethyl)-5-nitropyridine
CID 130095069
ethyl 2-[(3-bromo-5-nitro-2-pyridinyl)-ethylamino]acetate
CID 79523362
2-[N-(2,2-difluoroethyl)-3-ethoxy-5-nitroanilino]ethanol
CID 107484162
2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol
CID 62476555
2-[ethyl(2-hydroxyethyl)amino]-5-nitropyridine-3-carbonitrile
CID 60678518
2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107478248
3-bromo-N-methyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 133412869
2-[N-(2,2-difluoroethyl)-3-nitro-5-(propylamino)anilino]ethanol
CID 107495088
3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 107483128
3-bromo-N-ethyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719389

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-nitro-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(3-bromo-5-nitro-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol (CID 107484213) is 2-[(3-bromo-5-nitro-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-bromo-5-nitro-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(3-bromo-5-nitro-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol is O=[N+]([O-])c1cnc(N(CCO)CC(F)F)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-5-nitro-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is UEPDLMGAOAAKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2N3O3/c10-7-3-6(15(17)18)4-13-9(7)14(1-2-16)5-8(11)12/h3-4,8,16H,1-2,5H2.
What are the key properties of 2-[(3-bromo-5-nitro-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol?
2-[(3-bromo-5-nitro-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 326.10 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-nitro-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107484213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).