[5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine

C8H6ClF5N2 — CID 118842676

IUPAC[5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1nc(C(F)(F)F)c(Cl)cc1C(F)F
InChIInChI=1S/C8H6ClF5N2/c9-4-1-3(7(10)11)5(2-15)16-6(4)8(12,13)14/h1,7H,2,15H2
InChIKeyRIZAWDRBGFAZHL-UHFFFAOYSA-N
MW260.59 g/mol
LogP3.15
Rot. Bonds2

About [5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine

[5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 118842676) has the molecular formula C8H6ClF5N2 and a molecular weight of 260.59 g/mol. Its IUPAC name is [5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID118842676
Molecular FormulaC8H6ClF5N2
Molecular Weight260.59 g/mol
Exact Mass260.01
IUPAC Name[5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1nc(C(F)(F)F)c(Cl)cc1C(F)F
InChIInChI=1S/C8H6ClF5N2/c9-4-1-3(7(10)11)5(2-15)16-6(4)8(12,13)14/h1,7H,2,15H2
InChIKeyRIZAWDRBGFAZHL-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.59
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine
CID 118808844
2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134684089
2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118853773
6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonamide
CID 118808682
methyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134674308
6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonamide
CID 118849387
2-chloro-3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)pyridine
CID 130071827
5-chloro-2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine
CID 134685820
2-[3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133104127
3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 130075114
[5-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130081564
[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130074919

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of [5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine (CID 118842676) is [5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine is NCc1nc(C(F)(F)F)c(Cl)cc1C(F)F.
What is the InChIKey of [5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is RIZAWDRBGFAZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF5N2/c9-4-1-3(7(10)11)5(2-15)16-6(4)8(12,13)14/h1,7H,2,15H2.
What are the key properties of [5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine?
[5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 260.59 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 118842676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).