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

C7H4BrF5N2O — CID 118822184

IUPAC5-bromo-3-(difluoromethyl)-2-(trifluoromethoxy)pyridin-4-amine
SMILESNc1c(Br)cnc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C7H4BrF5N2O/c8-2-1-15-6(16-7(11,12)13)3(4(2)14)5(9)10/h1,5H,(H2,14,15)
InChIKeyPDAYAAXTBSXIRF-UHFFFAOYSA-N
MW307.02 g/mol
LogP3.26
Rot. Bonds2

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

5-bromo-3-(difluoromethyl)-2-(trifluoromethoxy)pyridin-4-amine (PubChem CID 118822184) has the molecular formula C7H4BrF5N2O and a molecular weight of 307.02 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethyl)-2-(trifluoromethoxy)pyridin-4-amine.

Molecular Properties

Compound Name5-bromo-3-(difluoromethyl)-2-(trifluoromethoxy)pyridin-4-amine
PubChem CID118822184
Molecular FormulaC7H4BrF5N2O
Molecular Weight307.02 g/mol
Exact Mass305.94
IUPAC Name5-bromo-3-(difluoromethyl)-2-(trifluoromethoxy)pyridin-4-amine
SMILESNc1c(Br)cnc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C7H4BrF5N2O/c8-2-1-15-6(16-7(11,12)13)3(4(2)14)5(9)10/h1,5H,(H2,14,15)
InChIKeyPDAYAAXTBSXIRF-UHFFFAOYSA-N
XLogP3.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.02
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridin-4-amine
CID 118800001
5-amino-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095321
4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 134677098
5-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine
CID 130101968
5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine
CID 134662895
4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
CID 118817438
5-bromo-4-(trifluoromethoxy)pyridine-2,3-diamine
CID 130093472
5-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134667776
2-[5-(aminomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134668988
2-[4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134663634
2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine
CID 118811897
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134677184

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethyl)-2-(trifluoromethoxy)pyridin-4-amine?
The IUPAC name of 5-bromo-3-(difluoromethyl)-2-(trifluoromethoxy)pyridin-4-amine (CID 118822184) is 5-bromo-3-(difluoromethyl)-2-(trifluoromethoxy)pyridin-4-amine.
What is the SMILES notation for 5-bromo-3-(difluoromethyl)-2-(trifluoromethoxy)pyridin-4-amine?
The canonical SMILES for 5-bromo-3-(difluoromethyl)-2-(trifluoromethoxy)pyridin-4-amine is Nc1c(Br)cnc(OC(F)(F)F)c1C(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethyl)-2-(trifluoromethoxy)pyridin-4-amine?
The InChIKey is PDAYAAXTBSXIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF5N2O/c8-2-1-15-6(16-7(11,12)13)3(4(2)14)5(9)10/h1,5H,(H2,14,15).
What are the key properties of 5-bromo-3-(difluoromethyl)-2-(trifluoromethoxy)pyridin-4-amine?
5-bromo-3-(difluoromethyl)-2-(trifluoromethoxy)pyridin-4-amine has a molecular weight of 307.02 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethyl)-2-(trifluoromethoxy)pyridin-4-amine is sourced from PubChem (CID 118822184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).