[2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine

C8H6ClF5N2O — CID 118824071

IUPAC[2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESNCc1cc(OC(F)(F)F)nc(Cl)c1C(F)F
InChIInChI=1S/C8H6ClF5N2O/c9-6-5(7(10)11)3(2-15)1-4(16-6)17-8(12,13)14/h1,7H,2,15H2
InChIKeySFPBTZIATRNIFW-UHFFFAOYSA-N
MW276.59 g/mol
LogP3.03
Rot. Bonds3

About [2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine

[2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine (PubChem CID 118824071) has the molecular formula C8H6ClF5N2O and a molecular weight of 276.59 g/mol. Its IUPAC name is [2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine
PubChem CID118824071
Molecular FormulaC8H6ClF5N2O
Molecular Weight276.59 g/mol
Exact Mass276.01
IUPAC Name[2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESNCc1cc(OC(F)(F)F)nc(Cl)c1C(F)F
InChIInChI=1S/C8H6ClF5N2O/c9-6-5(7(10)11)3(2-15)1-4(16-6)17-8(12,13)14/h1,7H,2,15H2
InChIKeySFPBTZIATRNIFW-UHFFFAOYSA-N
XLogP3.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.59
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807331
2-[4-(aminomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134672739
[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 134678172
4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine
CID 119018569
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-sulfonamide
CID 118846600
4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine
CID 119006806
4-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-amine
CID 133086394
[2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130093645
3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine
CID 118823425
4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118801555
3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119005302
3-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 118996985

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
The IUPAC name of [2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine (CID 118824071) is [2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine is NCc1cc(OC(F)(F)F)nc(Cl)c1C(F)F.
What is the InChIKey of [2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
The InChIKey is SFPBTZIATRNIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF5N2O/c9-6-5(7(10)11)3(2-15)1-4(16-6)17-8(12,13)14/h1,7H,2,15H2.
What are the key properties of [2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
[2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine has a molecular weight of 276.59 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 118824071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).