1-(6-bromo-2-pyridinyl)-N-methoxy-N-methylmethanamine

C8H11BrN2O — CID 126996740

IUPAC1-(6-bromo-2-pyridinyl)-N-methoxy-N-methylmethanamine
SMILESCON(C)Cc1cccc(Br)n1
InChIInChI=1S/C8H11BrN2O/c1-11(12-2)6-7-4-3-5-8(9)10-7/h3-5H,6H2,1-2H3
InChIKeyVBOIWTIXCPIQKO-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.84
Rot. Bonds3

About 1-(6-bromo-2-pyridinyl)-N-methoxy-N-methylmethanamine

1-(6-bromo-2-pyridinyl)-N-methoxy-N-methylmethanamine (PubChem CID 126996740) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-N-methoxy-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-N-methoxy-N-methylmethanamine
PubChem CID126996740
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name1-(6-bromo-2-pyridinyl)-N-methoxy-N-methylmethanamine
SMILESCON(C)Cc1cccc(Br)n1
InChIInChI=1S/C8H11BrN2O/c1-11(12-2)6-7-4-3-5-8(9)10-7/h3-5H,6H2,1-2H3
InChIKeyVBOIWTIXCPIQKO-UHFFFAOYSA-N
XLogP1.84
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(6-bromo-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine
CID 130604297
6-bromopyridine-2-carbaldehyde;1-(6-bromo-2-pyridinyl)-N,N-dimethylmethanamine
CID 162168476
(6-bromo-2-pyridinyl)methyl-(2-methoxyethyl)carbamic acid
CID 87067233
5-(6-bromo-2-pyridinyl)-N-methoxy-N-methylpentanamide
CID 54200368
N-[(6-bromo-2-pyridinyl)methyl]-N-propylpentan-1-amine
CID 143966335
2-bromo-6-(methylsulfanylmethyl)pyridine
CID 59526020
2-bromo-6-(methylsulfanyloxymethyl)pyridine
CID 89441575
1-[3-[[bis[(6-bromo-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 44598640
tert-butyl N-[(6-bromo-2-pyridinyl)methyl]-N-propan-2-ylcarbamate
CID 87834368
2-bromo-6-[(3-methoxyphenyl)methyl]pyridine
CID 54045863
(6-bromo-2-pyridinyl)methyl-(4-fluorophenyl)carbamic acid
CID 87580144
N-[(6-bromo-2-pyridinyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 112581995

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)-N-methoxy-N-methylmethanamine?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-N-methoxy-N-methylmethanamine (CID 126996740) is 1-(6-bromo-2-pyridinyl)-N-methoxy-N-methylmethanamine.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-N-methoxy-N-methylmethanamine?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-N-methoxy-N-methylmethanamine is CON(C)Cc1cccc(Br)n1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-N-methoxy-N-methylmethanamine?
The InChIKey is VBOIWTIXCPIQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-11(12-2)6-7-4-3-5-8(9)10-7/h3-5H,6H2,1-2H3.
What are the key properties of 1-(6-bromo-2-pyridinyl)-N-methoxy-N-methylmethanamine?
1-(6-bromo-2-pyridinyl)-N-methoxy-N-methylmethanamine has a molecular weight of 231.09 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-N-methoxy-N-methylmethanamine is sourced from PubChem (CID 126996740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).