2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]aniline

C13H9Cl2F3N2 — CID 150376040

IUPAC2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]aniline
SMILESNc1cc(Cc2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2F3N2/c14-9-2-1-7(3-11(9)19)4-12-10(15)5-8(6-20-12)13(16,17)18/h1-3,5-6H,4,19H2
InChIKeyGYSHDMYNWFHIEI-UHFFFAOYSA-N
MW321.13 g/mol
LogP4.58
Rot. Bonds2

About 2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]aniline

2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]aniline (PubChem CID 150376040) has the molecular formula C13H9Cl2F3N2 and a molecular weight of 321.13 g/mol. Its IUPAC name is 2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]aniline
PubChem CID150376040
Molecular FormulaC13H9Cl2F3N2
Molecular Weight321.13 g/mol
Exact Mass320.01
IUPAC Name2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]aniline
SMILESNc1cc(Cc2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2F3N2/c14-9-2-1-7(3-11(9)19)4-12-10(15)5-8(6-20-12)13(16,17)18/h1-3,5-6H,4,19H2
InChIKeyGYSHDMYNWFHIEI-UHFFFAOYSA-N
XLogP4.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-3-chloro-5-(trifluoromethyl)pyridine
CID 68842183
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanethioamide
CID 91664064
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl] 4-methoxybenzoate
CID 1477319
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride
CID 22637222
N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 60876439
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine
CID 63196526
3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine
CID 134966661
2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
CID 110208650
5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-sulfonic acid
CID 3813327
2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine
CID 166452013
(E,4R)-4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenoxy]-1-(dimethylamino)pent-1-en-3-one
CID 40543207
N-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 60875723

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]aniline?
The IUPAC name of 2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]aniline (CID 150376040) is 2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]aniline.
What is the SMILES notation for 2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]aniline?
The canonical SMILES for 2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]aniline is Nc1cc(Cc2ncc(C(F)(F)F)cc2Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]aniline?
The InChIKey is GYSHDMYNWFHIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N2/c14-9-2-1-7(3-11(9)19)4-12-10(15)5-8(6-20-12)13(16,17)18/h1-3,5-6H,4,19H2.
What are the key properties of 2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]aniline?
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]aniline has a molecular weight of 321.13 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]aniline is sourced from PubChem (CID 150376040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).