N'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine

C9H12BrF2N3 — CID 107494126

IUPACN'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)F)c1ncccc1Br
InChIInChI=1S/C9H12BrF2N3/c10-7-2-1-4-14-9(7)15(5-3-13)6-8(11)12/h1-2,4,8H,3,5-6,13H2
InChIKeyULUZLBLCAYNPKQ-UHFFFAOYSA-N
MW280.12 g/mol
LogP1.87
Rot. Bonds5

About N'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine

N'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine (PubChem CID 107494126) has the molecular formula C9H12BrF2N3 and a molecular weight of 280.12 g/mol. Its IUPAC name is N'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
PubChem CID107494126
Molecular FormulaC9H12BrF2N3
Molecular Weight280.12 g/mol
Exact Mass279.02
IUPAC NameN'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)F)c1ncccc1Br
InChIInChI=1S/C9H12BrF2N3/c10-7-2-1-4-14-9(7)15(5-3-13)6-8(11)12/h1-2,4,8H,3,5-6,13H2
InChIKeyULUZLBLCAYNPKQ-UHFFFAOYSA-N
XLogP1.87
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine
CID 61375800
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine
CID 107489652
2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol
CID 107478427
2-[2,2-difluoroethyl-[3-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 107484642
3-bromo-N,N-diethylpyridin-2-amine
CID 61374664
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 107480051
3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107490411
N'-(2,2-difluoroethyl)-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 107493991
N'-(7-bromo-1,5-naphthyridin-4-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
CID 107494004
3-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine
CID 107489338
1-(3-bromo-2-pyridinyl)-1-methylhydrazine
CID 53402715
N'-(2,2-difluoroethyl)-N'-(4-methoxypyrimidin-2-yl)ethane-1,2-diamine
CID 107493964

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine (CID 107494126) is N'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine is NCCN(CC(F)F)c1ncccc1Br.
What is the InChIKey of N'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine?
The InChIKey is ULUZLBLCAYNPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrF2N3/c10-7-2-1-4-14-9(7)15(5-3-13)6-8(11)12/h1-2,4,8H,3,5-6,13H2.
What are the key properties of N'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine?
N'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine has a molecular weight of 280.12 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).