N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine

C9H13BrFN3 — CID 104923678

IUPACN-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ncc(Br)cc1F
InChIInChI=1S/C9H13BrFN3/c1-14(2)4-3-12-9-8(11)5-7(10)6-13-9/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyHFONIPXXQGXSFF-UHFFFAOYSA-N
MW262.13 g/mol
LogP1.96
Rot. Bonds4

About N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine

N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 104923678) has the molecular formula C9H13BrFN3 and a molecular weight of 262.13 g/mol. Its IUPAC name is N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID104923678
Molecular FormulaC9H13BrFN3
Molecular Weight262.13 g/mol
Exact Mass261.03
IUPAC NameN-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ncc(Br)cc1F
InChIInChI=1S/C9H13BrFN3/c1-14(2)4-3-12-9-8(11)5-7(10)6-13-9/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyHFONIPXXQGXSFF-UHFFFAOYSA-N
XLogP1.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 104923732
5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 104924312
5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine
CID 104923688
N-(5-bromo-3-methyl-2-pyridinyl)-N',N'-dimethylbutane-1,4-diamine
CID 79717787
5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine
CID 146237825
5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine
CID 104924591
3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine
CID 79021090
5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 104924731
5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 104925322
N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine
CID 106308312
5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine
CID 114046501
5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine
CID 104924052

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine (CID 104923678) is N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1ncc(Br)cc1F.
What is the InChIKey of N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is HFONIPXXQGXSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrFN3/c1-14(2)4-3-12-9-8(11)5-7(10)6-13-9/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 262.13 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 104923678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).