N-(7-chlorohept-1-en-2-yl)-2-(trifluoromethyl)pyridin-4-amine

C13H16ClF3N2 — CID 144811176

IUPACN-(7-chlorohept-1-en-2-yl)-2-(trifluoromethyl)pyridin-4-amine
SMILESC=C(CCCCCCl)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2/c1-10(5-3-2-4-7-14)19-11-6-8-18-12(9-11)13(15,16)17/h6,8-9H,1-5,7H2,(H,18,19)
InChIKeyOOWRERUQQNHPIN-UHFFFAOYSA-N
MW292.73 g/mol
LogP4.83
Rot. Bonds7

About N-(7-chlorohept-1-en-2-yl)-2-(trifluoromethyl)pyridin-4-amine

N-(7-chlorohept-1-en-2-yl)-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 144811176) has the molecular formula C13H16ClF3N2 and a molecular weight of 292.73 g/mol. Its IUPAC name is N-(7-chlorohept-1-en-2-yl)-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-(7-chlorohept-1-en-2-yl)-2-(trifluoromethyl)pyridin-4-amine
PubChem CID144811176
Molecular FormulaC13H16ClF3N2
Molecular Weight292.73 g/mol
Exact Mass292.10
IUPAC NameN-(7-chlorohept-1-en-2-yl)-2-(trifluoromethyl)pyridin-4-amine
SMILESC=C(CCCCCCl)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2/c1-10(5-3-2-4-7-14)19-11-6-8-18-12(9-11)13(15,16)17/h6,8-9H,1-5,7H2,(H,18,19)
InChIKeyOOWRERUQQNHPIN-UHFFFAOYSA-N
XLogP4.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 54.83
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

6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide
CID 118730959
3-(4-bromo-3-methylphenoxy)-2,2,3-trimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]butanamide
CID 162732177
N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine
CID 10944517
5-chloro-2-hydroxy-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 168876082
2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol
CID 162732154
2-(4-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 166976301
N-(4-methylsulfanylbutyl)-2-(trifluoromethyl)pyridin-4-amine
CID 114270158
N-(4-bromo-3-fluorophenyl)-5-chloropentanamide
CID 65436710
4,6-dichloro-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine
CID 122677423
2-[(2,3,4,5,6-pentafluorophenoxy)amino]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 130387825
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 169075439
2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 163252999

Frequently Asked Questions

What is the IUPAC name of N-(7-chlorohept-1-en-2-yl)-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-(7-chlorohept-1-en-2-yl)-2-(trifluoromethyl)pyridin-4-amine (CID 144811176) is N-(7-chlorohept-1-en-2-yl)-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-(7-chlorohept-1-en-2-yl)-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-(7-chlorohept-1-en-2-yl)-2-(trifluoromethyl)pyridin-4-amine is C=C(CCCCCCl)Nc1ccnc(C(F)(F)F)c1.
What is the InChIKey of N-(7-chlorohept-1-en-2-yl)-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is OOWRERUQQNHPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2/c1-10(5-3-2-4-7-14)19-11-6-8-18-12(9-11)13(15,16)17/h6,8-9H,1-5,7H2,(H,18,19).
What are the key properties of N-(7-chlorohept-1-en-2-yl)-2-(trifluoromethyl)pyridin-4-amine?
N-(7-chlorohept-1-en-2-yl)-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 292.73 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chlorohept-1-en-2-yl)-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 144811176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).