6-bromopyridine-2-carbaldehyde;1-(6-bromo-2-pyridinyl)-N,N-dimethylmethanamine

C14H15Br2N3O — CID 162168476

IUPAC6-bromopyridine-2-carbaldehyde;1-(6-bromo-2-pyridinyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cccc(Br)n1.O=Cc1cccc(Br)n1
InChIInChI=1S/C8H11BrN2.C6H4BrNO/c1-11(2)6-7-4-3-5-8(9)10-7;7-6-3-1-2-5(4-9)8-6/h3-5H,6H2,1-2H3;1-4H
InChIKeyZNLREVPMOCACPP-UHFFFAOYSA-N
MW401.10 g/mol
LogP3.56
Rot. Bonds3

About 6-bromopyridine-2-carbaldehyde;1-(6-bromo-2-pyridinyl)-N,N-dimethylmethanamine

6-bromopyridine-2-carbaldehyde;1-(6-bromo-2-pyridinyl)-N,N-dimethylmethanamine (PubChem CID 162168476) has the molecular formula C14H15Br2N3O and a molecular weight of 401.10 g/mol. Its IUPAC name is 6-bromopyridine-2-carbaldehyde;1-(6-bromo-2-pyridinyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name6-bromopyridine-2-carbaldehyde;1-(6-bromo-2-pyridinyl)-N,N-dimethylmethanamine
PubChem CID162168476
Molecular FormulaC14H15Br2N3O
Molecular Weight401.10 g/mol
Exact Mass398.96
IUPAC Name6-bromopyridine-2-carbaldehyde;1-(6-bromo-2-pyridinyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cccc(Br)n1.O=Cc1cccc(Br)n1
InChIInChI=1S/C8H11BrN2.C6H4BrNO/c1-11(2)6-7-4-3-5-8(9)10-7;7-6-3-1-2-5(4-9)8-6/h3-5H,6H2,1-2H3;1-4H
InChIKeyZNLREVPMOCACPP-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(6-bromo-2-pyridinyl)-N-methoxy-N-methylmethanamine
CID 126996740
6-bromopyridine-2-carbaldehyde;pyridine-2-carbaldehyde
CID 157151711
N-[(6-bromo-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine
CID 130604297
[6-[(dimethylamino)methyl]-2-pyridinyl]methanol
CID 15592300
5-(6-bromo-2-pyridinyl)penta-2,4-dienal
CID 54391429
N-[(6-bromo-2-pyridinyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 112581995
(E)-3-(6-bromo-2-pyridinyl)prop-2-enal
CID 58201316
N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 115938175
6-bromopyridine-2-carbaldehyde;3-(3,4-dimethylphenyl)benzaldehyde
CID 157149657
(6-bromo-2-pyridinyl)methylideneazanide;methanol;tungsten
CID 157026840
[6-[(dimethylamino)methyl]-2-pyridinyl]phosphonic acid
CID 166148102
(E)-3-(6-bromo-2-pyridinyl)-N-methoxy-N-methylprop-2-enamide
CID 118432044

Frequently Asked Questions

What is the IUPAC name of 6-bromopyridine-2-carbaldehyde;1-(6-bromo-2-pyridinyl)-N,N-dimethylmethanamine?
The IUPAC name of 6-bromopyridine-2-carbaldehyde;1-(6-bromo-2-pyridinyl)-N,N-dimethylmethanamine (CID 162168476) is 6-bromopyridine-2-carbaldehyde;1-(6-bromo-2-pyridinyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 6-bromopyridine-2-carbaldehyde;1-(6-bromo-2-pyridinyl)-N,N-dimethylmethanamine?
The canonical SMILES for 6-bromopyridine-2-carbaldehyde;1-(6-bromo-2-pyridinyl)-N,N-dimethylmethanamine is CN(C)Cc1cccc(Br)n1.O=Cc1cccc(Br)n1.
What is the InChIKey of 6-bromopyridine-2-carbaldehyde;1-(6-bromo-2-pyridinyl)-N,N-dimethylmethanamine?
The InChIKey is ZNLREVPMOCACPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2.C6H4BrNO/c1-11(2)6-7-4-3-5-8(9)10-7;7-6-3-1-2-5(4-9)8-6/h3-5H,6H2,1-2H3;1-4H.
What are the key properties of 6-bromopyridine-2-carbaldehyde;1-(6-bromo-2-pyridinyl)-N,N-dimethylmethanamine?
6-bromopyridine-2-carbaldehyde;1-(6-bromo-2-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 6-bromopyridine-2-carbaldehyde;1-(6-bromo-2-pyridinyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 162168476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).