N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine

C9H10BrF3N2 — CID 107489652

IUPACN-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine
SMILESFc1cccnc1N(CCBr)CC(F)F
InChIInChI=1S/C9H10BrF3N2/c10-3-5-15(6-8(12)13)9-7(11)2-1-4-14-9/h1-2,4,8H,3,5-6H2
InChIKeyRGMSHMGXUSXBPZ-UHFFFAOYSA-N
MW283.09 g/mol
LogP2.69
Rot. Bonds5

About N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine

N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine (PubChem CID 107489652) has the molecular formula C9H10BrF3N2 and a molecular weight of 283.09 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine
PubChem CID107489652
Molecular FormulaC9H10BrF3N2
Molecular Weight283.09 g/mol
Exact Mass282.00
IUPAC NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine
SMILESFc1cccnc1N(CCBr)CC(F)F
InChIInChI=1S/C9H10BrF3N2/c10-3-5-15(6-8(12)13)9-7(11)2-1-4-14-9/h1-2,4,8H,3,5-6H2
InChIKeyRGMSHMGXUSXBPZ-UHFFFAOYSA-N
XLogP2.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-(2-bromoethyl)-3-fluoropyridin-2-amine
CID 80675173
N'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
CID 107494126
3-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine
CID 107489338
2-[2,2-difluoroethyl-[3-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 107484642
N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine
CID 80669537
2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol
CID 107478427
2-[(3-fluoro-2-pyridinyl)-propylamino]ethanol
CID 62734185
3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107490411
3-[ethyl-(3-fluoro-2-pyridinyl)amino]propanenitrile
CID 62733408
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 107480051
N-(2-bromoethyl)-3-methyl-N-propylpyridin-2-amine
CID 80674717
3-fluoro-N-methyl-N-propylpyridin-2-amine
CID 131175805

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine (CID 107489652) is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine is Fc1cccnc1N(CCBr)CC(F)F.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine?
The InChIKey is RGMSHMGXUSXBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2/c10-3-5-15(6-8(12)13)9-7(11)2-1-4-14-9/h1-2,4,8H,3,5-6H2.
What are the key properties of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine?
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine has a molecular weight of 283.09 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 107489652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).