3-bromo-4-ethyl-5-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)pyridin-2-amine

C14H16BrFN2O — CID 147521041

IUPAC3-bromo-4-ethyl-5-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)pyridin-2-amine
SMILESCCc1c(C2=C(F)C=C(OC)CC2)cnc(N)c1Br
InChIInChI=1S/C14H16BrFN2O/c1-3-9-11(7-18-14(17)13(9)15)10-5-4-8(19-2)6-12(10)16/h6-7H,3-5H2,1-2H3,(H2,17,18)
InChIKeyFLEFDSHYQSRDDM-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.99
Rot. Bonds3

About 3-bromo-4-ethyl-5-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)pyridin-2-amine

3-bromo-4-ethyl-5-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)pyridin-2-amine (PubChem CID 147521041) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is 3-bromo-4-ethyl-5-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-ethyl-5-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)pyridin-2-amine
PubChem CID147521041
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC Name3-bromo-4-ethyl-5-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)pyridin-2-amine
SMILESCCc1c(C2=C(F)C=C(OC)CC2)cnc(N)c1Br
InChIInChI=1S/C14H16BrFN2O/c1-3-9-11(7-18-14(17)13(9)15)10-5-4-8(19-2)6-12(10)16/h6-7H,3-5H2,1-2H3,(H2,17,18)
InChIKeyFLEFDSHYQSRDDM-UHFFFAOYSA-N
XLogP3.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethyl-5-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-4-ethyl-5-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)pyridin-2-amine (CID 147521041) is 3-bromo-4-ethyl-5-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-ethyl-5-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-4-ethyl-5-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)pyridin-2-amine is CCc1c(C2=C(F)C=C(OC)CC2)cnc(N)c1Br.
What is the InChIKey of 3-bromo-4-ethyl-5-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)pyridin-2-amine?
The InChIKey is FLEFDSHYQSRDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c1-3-9-11(7-18-14(17)13(9)15)10-5-4-8(19-2)6-12(10)16/h6-7H,3-5H2,1-2H3,(H2,17,18).
What are the key properties of 3-bromo-4-ethyl-5-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)pyridin-2-amine?
3-bromo-4-ethyl-5-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)pyridin-2-amine has a molecular weight of 327.20 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethyl-5-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)pyridin-2-amine is sourced from PubChem (CID 147521041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).