4-N-(5-bromo-3-fluoro-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine

C13H19BrFN3 — CID 114046754

IUPAC4-N-(5-bromo-3-fluoro-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)c2ncc(Br)cc2F)CC1
InChIInChI=1S/C13H19BrFN3/c1-16-10-3-5-11(6-4-10)18(2)13-12(15)7-9(14)8-17-13/h7-8,10-11,16H,3-6H2,1-2H3
InChIKeyTTWCHGMCQXXISM-UHFFFAOYSA-N
MW316.22 g/mol
LogP2.95
Rot. Bonds3

About 4-N-(5-bromo-3-fluoro-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine

4-N-(5-bromo-3-fluoro-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 114046754) has the molecular formula C13H19BrFN3 and a molecular weight of 316.22 g/mol. Its IUPAC name is 4-N-(5-bromo-3-fluoro-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-3-fluoro-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID114046754
Molecular FormulaC13H19BrFN3
Molecular Weight316.22 g/mol
Exact Mass315.07
IUPAC Name4-N-(5-bromo-3-fluoro-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)c2ncc(Br)cc2F)CC1
InChIInChI=1S/C13H19BrFN3/c1-16-10-3-5-11(6-4-10)18(2)13-12(15)7-9(14)8-17-13/h7-8,10-11,16H,3-6H2,1-2H3
InChIKeyTTWCHGMCQXXISM-UHFFFAOYSA-N
XLogP2.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-(5-bromo-3-fluoro-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine with MolForge

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Related Compounds

5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62279687
4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 115993876
5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62280389
5-bromo-3-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 103580299
4-N-(3-bromo-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79110265
5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62000742
5-bromo-2-N-cyclopentyl-2-N-methylpyridine-2,3-diamine
CID 61228674
5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine
CID 79727276
5-bromo-3-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine
CID 103580325
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 62287100
5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 104924188
(2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 124678709

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-3-fluoro-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(5-bromo-3-fluoro-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine (CID 114046754) is 4-N-(5-bromo-3-fluoro-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(5-bromo-3-fluoro-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(5-bromo-3-fluoro-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine is CNC1CCC(N(C)c2ncc(Br)cc2F)CC1.
What is the InChIKey of 4-N-(5-bromo-3-fluoro-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is TTWCHGMCQXXISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN3/c1-16-10-3-5-11(6-4-10)18(2)13-12(15)7-9(14)8-17-13/h7-8,10-11,16H,3-6H2,1-2H3.
What are the key properties of 4-N-(5-bromo-3-fluoro-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
4-N-(5-bromo-3-fluoro-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 316.22 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-3-fluoro-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 114046754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).