4-bromo-N-ethyl-N-methyl-2-methylidenepyridin-1-amine

C9H13BrN2 — CID 155039514

IUPAC4-bromo-N-ethyl-N-methyl-2-methylidenepyridin-1-amine
SMILESC=C1C=C(Br)C=CN1N(C)CC
InChIInChI=1S/C9H13BrN2/c1-4-11(3)12-6-5-9(10)7-8(12)2/h5-7H,2,4H2,1,3H3
InChIKeyINJGJVPKJYSYBX-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.47
Rot. Bonds2

About 4-bromo-N-ethyl-N-methyl-2-methylidenepyridin-1-amine

4-bromo-N-ethyl-N-methyl-2-methylidenepyridin-1-amine (PubChem CID 155039514) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-methyl-2-methylidenepyridin-1-amine.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-methyl-2-methylidenepyridin-1-amine
PubChem CID155039514
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name4-bromo-N-ethyl-N-methyl-2-methylidenepyridin-1-amine
SMILESC=C1C=C(Br)C=CN1N(C)CC
InChIInChI=1S/C9H13BrN2/c1-4-11(3)12-6-5-9(10)7-8(12)2/h5-7H,2,4H2,1,3H3
InChIKeyINJGJVPKJYSYBX-UHFFFAOYSA-N
XLogP2.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-methyl-2-methylidenepyridin-1-amine?
The IUPAC name of 4-bromo-N-ethyl-N-methyl-2-methylidenepyridin-1-amine (CID 155039514) is 4-bromo-N-ethyl-N-methyl-2-methylidenepyridin-1-amine.
What is the SMILES notation for 4-bromo-N-ethyl-N-methyl-2-methylidenepyridin-1-amine?
The canonical SMILES for 4-bromo-N-ethyl-N-methyl-2-methylidenepyridin-1-amine is C=C1C=C(Br)C=CN1N(C)CC.
What is the InChIKey of 4-bromo-N-ethyl-N-methyl-2-methylidenepyridin-1-amine?
The InChIKey is INJGJVPKJYSYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-4-11(3)12-6-5-9(10)7-8(12)2/h5-7H,2,4H2,1,3H3.
What are the key properties of 4-bromo-N-ethyl-N-methyl-2-methylidenepyridin-1-amine?
4-bromo-N-ethyl-N-methyl-2-methylidenepyridin-1-amine has a molecular weight of 229.12 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-methyl-2-methylidenepyridin-1-amine is sourced from PubChem (CID 155039514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).