5-bromo-3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine

C14H11BrF2N6O — CID 67027063

IUPAC5-bromo-3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine
SMILESCCOc1ccc(-n2nnnc2-c2cc(Br)cnc2N)c(F)c1F
InChIInChI=1S/C14H11BrF2N6O/c1-2-24-10-4-3-9(11(16)12(10)17)23-14(20-21-22-23)8-5-7(15)6-19-13(8)18/h3-6H,2H2,1H3,(H2,18,19)
InChIKeyHKAFAHKXPATLDN-UHFFFAOYSA-N
MW397.18 g/mol
LogP2.75
Rot. Bonds4

About 5-bromo-3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine

5-bromo-3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine (PubChem CID 67027063) has the molecular formula C14H11BrF2N6O and a molecular weight of 397.18 g/mol. Its IUPAC name is 5-bromo-3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine
PubChem CID67027063
Molecular FormulaC14H11BrF2N6O
Molecular Weight397.18 g/mol
Exact Mass396.01
IUPAC Name5-bromo-3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine
SMILESCCOc1ccc(-n2nnnc2-c2cc(Br)cnc2N)c(F)c1F
InChIInChI=1S/C14H11BrF2N6O/c1-2-24-10-4-3-9(11(16)12(10)17)23-14(20-21-22-23)8-5-7(15)6-19-13(8)18/h3-6H,2H2,1H3,(H2,18,19)
InChIKeyHKAFAHKXPATLDN-UHFFFAOYSA-N
XLogP2.75
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.18
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine (CID 67027063) is 5-bromo-3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine is CCOc1ccc(-n2nnnc2-c2cc(Br)cnc2N)c(F)c1F.
What is the InChIKey of 5-bromo-3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine?
The InChIKey is HKAFAHKXPATLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N6O/c1-2-24-10-4-3-9(11(16)12(10)17)23-14(20-21-22-23)8-5-7(15)6-19-13(8)18/h3-6H,2H2,1H3,(H2,18,19).
What are the key properties of 5-bromo-3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine?
5-bromo-3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine has a molecular weight of 397.18 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[1-(4-ethoxy-2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 67027063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).