5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine

C7H6BrF3N2 — CID 104924591

IUPAC5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine
SMILESFc1cc(Br)cnc1NCC(F)F
InChIInChI=1S/C7H6BrF3N2/c8-4-1-5(9)7(12-2-4)13-3-6(10)11/h1-2,6H,3H2,(H,12,13)
InChIKeyNJKJHDURTOORON-UHFFFAOYSA-N
MW255.04 g/mol
LogP2.66
Rot. Bonds3

About 5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine

5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine (PubChem CID 104924591) has the molecular formula C7H6BrF3N2 and a molecular weight of 255.04 g/mol. Its IUPAC name is 5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine
PubChem CID104924591
Molecular FormulaC7H6BrF3N2
Molecular Weight255.04 g/mol
Exact Mass253.97
IUPAC Name5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine
SMILESFc1cc(Br)cnc1NCC(F)F
InChIInChI=1S/C7H6BrF3N2/c8-4-1-5(9)7(12-2-4)13-3-6(10)11/h1-2,6H,3H2,(H,12,13)
InChIKeyNJKJHDURTOORON-UHFFFAOYSA-N
XLogP2.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.04
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 104919061
5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine
CID 104924052
N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 104923678
5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 104923732
5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine
CID 146237825
5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 104924312
5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329358
5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 104925322
5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine
CID 104923688
5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 104924181
5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine
CID 114046501
5-bromo-3-fluoro-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine
CID 104924616

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine?
The IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine (CID 104924591) is 5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine is Fc1cc(Br)cnc1NCC(F)F.
What is the InChIKey of 5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine?
The InChIKey is NJKJHDURTOORON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2/c8-4-1-5(9)7(12-2-4)13-3-6(10)11/h1-2,6H,3H2,(H,12,13).
What are the key properties of 5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine?
5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine has a molecular weight of 255.04 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 104924591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).