N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine

C10H12ClF3N2 — CID 106845031

IUPACN-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCCCCCl)nc1
InChIInChI=1S/C10H12ClF3N2/c11-5-1-2-6-15-9-4-3-8(7-16-9)10(12,13)14/h3-4,7H,1-2,5-6H2,(H,15,16)
InChIKeyNBPCDYVOEDAXDD-UHFFFAOYSA-N
MW252.67 g/mol
LogP3.53
Rot. Bonds5

About N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine

N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 106845031) has the molecular formula C10H12ClF3N2 and a molecular weight of 252.67 g/mol. Its IUPAC name is N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID106845031
Molecular FormulaC10H12ClF3N2
Molecular Weight252.67 g/mol
Exact Mass252.06
IUPAC NameN-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCCCCCl)nc1
InChIInChI=1S/C10H12ClF3N2/c11-5-1-2-6-15-9-4-3-8(7-16-9)10(12,13)14/h3-4,7H,1-2,5-6H2,(H,15,16)
InChIKeyNBPCDYVOEDAXDD-UHFFFAOYSA-N
XLogP3.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 53.53
H-Bond Donors ≤ 51
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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Related Compounds

N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 115637573
5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 114162427
N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2988986
N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60631694
3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide
CID 47299073
N-(4-chlorobutyl)-4-(trifluoromethyl)aniline
CID 46941334
2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine
CID 47083315
N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107320732
N-(4-chlorobutyl)-5-methylpyridin-2-amine
CID 106845125
5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 114011601
2,3,5-trimethyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclohexa-2,5-diene-1,4-dione
CID 67069252
1,1,3,3-tetramethyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide
CID 111063615

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine (CID 106845031) is N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NCCCCCl)nc1.
What is the InChIKey of N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NBPCDYVOEDAXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2/c11-5-1-2-6-15-9-4-3-8(7-16-9)10(12,13)14/h3-4,7H,1-2,5-6H2,(H,15,16).
What are the key properties of N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine?
N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 252.67 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106845031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).