5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine

C8H6ClF5N2O — CID 119007700

IUPAC5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
SMILESNc1ncc(CCl)c(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C8H6ClF5N2O/c9-1-3-2-16-7(15)4(6(10)11)5(3)17-8(12,13)14/h2,6H,1H2,(H2,15,16)
InChIKeyJTGFFKQSADURDC-UHFFFAOYSA-N
MW276.59 g/mol
LogP3.24
Rot. Bonds3

About 5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine

5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine (PubChem CID 119007700) has the molecular formula C8H6ClF5N2O and a molecular weight of 276.59 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
PubChem CID119007700
Molecular FormulaC8H6ClF5N2O
Molecular Weight276.59 g/mol
Exact Mass276.01
IUPAC Name5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
SMILESNc1ncc(CCl)c(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C8H6ClF5N2O/c9-1-3-2-16-7(15)4(6(10)11)5(3)17-8(12,13)14/h2,6H,1H2,(H2,15,16)
InChIKeyJTGFFKQSADURDC-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119015246
3-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridin-2-amine
CID 119021668
6-amino-4-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 119014102
3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
CID 130101929
2-[5-(chloromethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134671786
5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134682315
5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134672585
[5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134668063
4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 119011225
5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134658888
2-[2-amino-5-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 119020769
[2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118999909

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine (CID 119007700) is 5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine is Nc1ncc(CCl)c(OC(F)(F)F)c1C(F)F.
What is the InChIKey of 5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is JTGFFKQSADURDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF5N2O/c9-1-3-2-16-7(15)4(6(10)11)5(3)17-8(12,13)14/h2,6H,1H2,(H2,15,16).
What are the key properties of 5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine?
5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 276.59 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 119007700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).