3-bromopyridine-4-carbaldehyde;1-(3-bromo-4-pyridinyl)-N,N-dimethylmethanamine

C14H15Br2N3O — CID 158020248

IUPAC3-bromopyridine-4-carbaldehyde;1-(3-bromo-4-pyridinyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccncc1Br.O=Cc1ccncc1Br
InChIInChI=1S/C8H11BrN2.C6H4BrNO/c1-11(2)6-7-3-4-10-5-8(7)9;7-6-3-8-2-1-5(6)4-9/h3-5H,6H2,1-2H3;1-4H
InChIKeyFFYYEXZGHYEEPR-UHFFFAOYSA-N
MW401.10 g/mol
LogP3.56
Rot. Bonds3

About 3-bromopyridine-4-carbaldehyde;1-(3-bromo-4-pyridinyl)-N,N-dimethylmethanamine

3-bromopyridine-4-carbaldehyde;1-(3-bromo-4-pyridinyl)-N,N-dimethylmethanamine (PubChem CID 158020248) has the molecular formula C14H15Br2N3O and a molecular weight of 401.10 g/mol. Its IUPAC name is 3-bromopyridine-4-carbaldehyde;1-(3-bromo-4-pyridinyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name3-bromopyridine-4-carbaldehyde;1-(3-bromo-4-pyridinyl)-N,N-dimethylmethanamine
PubChem CID158020248
Molecular FormulaC14H15Br2N3O
Molecular Weight401.10 g/mol
Exact Mass398.96
IUPAC Name3-bromopyridine-4-carbaldehyde;1-(3-bromo-4-pyridinyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccncc1Br.O=Cc1ccncc1Br
InChIInChI=1S/C8H11BrN2.C6H4BrNO/c1-11(2)6-7-3-4-10-5-8(7)9;7-6-3-8-2-1-5(6)4-9/h3-5H,6H2,1-2H3;1-4H
InChIKeyFFYYEXZGHYEEPR-UHFFFAOYSA-N
XLogP3.56
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.10
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromopyridine-4-carbaldehyde;1-(3-bromo-4-pyridinyl)-N,N-dimethylmethanamine?
The IUPAC name of 3-bromopyridine-4-carbaldehyde;1-(3-bromo-4-pyridinyl)-N,N-dimethylmethanamine (CID 158020248) is 3-bromopyridine-4-carbaldehyde;1-(3-bromo-4-pyridinyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 3-bromopyridine-4-carbaldehyde;1-(3-bromo-4-pyridinyl)-N,N-dimethylmethanamine?
The canonical SMILES for 3-bromopyridine-4-carbaldehyde;1-(3-bromo-4-pyridinyl)-N,N-dimethylmethanamine is CN(C)Cc1ccncc1Br.O=Cc1ccncc1Br.
What is the InChIKey of 3-bromopyridine-4-carbaldehyde;1-(3-bromo-4-pyridinyl)-N,N-dimethylmethanamine?
The InChIKey is FFYYEXZGHYEEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2.C6H4BrNO/c1-11(2)6-7-3-4-10-5-8(7)9;7-6-3-8-2-1-5(6)4-9/h3-5H,6H2,1-2H3;1-4H.
What are the key properties of 3-bromopyridine-4-carbaldehyde;1-(3-bromo-4-pyridinyl)-N,N-dimethylmethanamine?
3-bromopyridine-4-carbaldehyde;1-(3-bromo-4-pyridinyl)-N,N-dimethylmethanamine has a molecular weight of 401.10 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyridine-4-carbaldehyde;1-(3-bromo-4-pyridinyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 158020248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).