N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine

C10H12BrF3N2 — CID 115622453

IUPACN-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)Cc1ccc(Br)cn1
InChIInChI=1S/C10H12BrF3N2/c1-16(5-4-10(12,13)14)7-9-3-2-8(11)6-15-9/h2-3,6H,4-5,7H2,1H3
InChIKeyZPFDWHOKZCTQDF-UHFFFAOYSA-N
MW297.12 g/mol
LogP3.23
Rot. Bonds4

About N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine

N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 115622453) has the molecular formula C10H12BrF3N2 and a molecular weight of 297.12 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID115622453
Molecular FormulaC10H12BrF3N2
Molecular Weight297.12 g/mol
Exact Mass296.01
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)Cc1ccc(Br)cn1
InChIInChI=1S/C10H12BrF3N2/c1-16(5-4-10(12,13)14)7-9-3-2-8(11)6-15-9/h2-3,6H,4-5,7H2,1H3
InChIKeyZPFDWHOKZCTQDF-UHFFFAOYSA-N
XLogP3.23
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
CID 115622395
5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine
CID 107204834
N-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 115622483
2-[(5-bromo-2-pyridinyl)methyl-methylamino]ethanethioamide
CID 104797290
N'-[(5-bromo-2-pyridinyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 113409255
5-bromo-2-(10,10,10-trifluorodecyl)pyridine
CID 151052015
1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine
CID 115622448
1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine
CID 104803305
1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416318
1-(5-bromo-2-pyridinyl)-4,4,4-trifluorobutan-2-one
CID 104798738
4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine
CID 167637244
N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine
CID 115622616

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine (CID 115622453) is N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine is CN(CCC(F)(F)F)Cc1ccc(Br)cn1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is ZPFDWHOKZCTQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3N2/c1-16(5-4-10(12,13)14)7-9-3-2-8(11)6-15-9/h2-3,6H,4-5,7H2,1H3.
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 297.12 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 115622453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).