N-(5-bromopentyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine

C12H16BrF3N2 — CID 107205276

IUPACN-(5-bromopentyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCN(CCCCCBr)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H16BrF3N2/c1-18(8-4-2-3-6-13)11-9-10(5-7-17-11)12(14,15)16/h5,7,9H,2-4,6,8H2,1H3
InChIKeyFRMBFXTYVUBUHH-UHFFFAOYSA-N
MW325.17 g/mol
LogP4.10
Rot. Bonds6

About N-(5-bromopentyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine

N-(5-bromopentyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 107205276) has the molecular formula C12H16BrF3N2 and a molecular weight of 325.17 g/mol. Its IUPAC name is N-(5-bromopentyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(5-bromopentyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID107205276
Molecular FormulaC12H16BrF3N2
Molecular Weight325.17 g/mol
Exact Mass324.04
IUPAC NameN-(5-bromopentyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCN(CCCCCBr)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H16BrF3N2/c1-18(8-4-2-3-6-13)11-9-10(5-7-17-11)12(14,15)16/h5,7,9H,2-4,6,8H2,1H3
InChIKeyFRMBFXTYVUBUHH-UHFFFAOYSA-N
XLogP4.10
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(5-bromopentyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine (CID 107205276) is N-(5-bromopentyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(5-bromopentyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(5-bromopentyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine is CN(CCCCCBr)c1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-(5-bromopentyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FRMBFXTYVUBUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF3N2/c1-18(8-4-2-3-6-13)11-9-10(5-7-17-11)12(14,15)16/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of N-(5-bromopentyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
N-(5-bromopentyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 325.17 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 107205276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).