1-(3,6-dichloro-2-pyridinyl)-N-methoxymethanamine

C7H8Cl2N2O — CID 131041653

IUPAC1-(3,6-dichloro-2-pyridinyl)-N-methoxymethanamine
SMILESCONCc1nc(Cl)ccc1Cl
InChIInChI=1S/C7H8Cl2N2O/c1-12-10-4-6-5(8)2-3-7(9)11-6/h2-3,10H,4H2,1H3
InChIKeyXTUSUXIGRGOCAP-UHFFFAOYSA-N
MW207.06 g/mol
LogP2.04
Rot. Bonds3

About 1-(3,6-dichloro-2-pyridinyl)-N-methoxymethanamine

1-(3,6-dichloro-2-pyridinyl)-N-methoxymethanamine (PubChem CID 131041653) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is 1-(3,6-dichloro-2-pyridinyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3,6-dichloro-2-pyridinyl)-N-methoxymethanamine
PubChem CID131041653
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name1-(3,6-dichloro-2-pyridinyl)-N-methoxymethanamine
SMILESCONCc1nc(Cl)ccc1Cl
InChIInChI=1S/C7H8Cl2N2O/c1-12-10-4-6-5(8)2-3-7(9)11-6/h2-3,10H,4H2,1H3
InChIKeyXTUSUXIGRGOCAP-UHFFFAOYSA-N
XLogP2.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 52.04
H-Bond Donors ≤ 51
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

3,6-dichloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine
CID 104561220
methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955033
methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-ethylamino]acetate
CID 62890414
methyl 4-[(3,6-dichloro-2-pyridinyl)methoxy]benzoate
CID 59756933
3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine
CID 62892935
1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine
CID 117288952
3,6-dichloro-2-(propan-2-ylsulfanylmethyl)pyridine
CID 62885812
2-(but-3-enoxymethyl)-3,6-dichloropyridine
CID 62887557
3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine
CID 55127453
methyl 3-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanoate
CID 115536361
6-chloro-2-[(methoxyamino)methyl]-3-methylphenol
CID 117290479
1-(3-bromo-6-chloro-2-pyridinyl)-N-methylmethanamine
CID 130116038

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichloro-2-pyridinyl)-N-methoxymethanamine?
The IUPAC name of 1-(3,6-dichloro-2-pyridinyl)-N-methoxymethanamine (CID 131041653) is 1-(3,6-dichloro-2-pyridinyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3,6-dichloro-2-pyridinyl)-N-methoxymethanamine?
The canonical SMILES for 1-(3,6-dichloro-2-pyridinyl)-N-methoxymethanamine is CONCc1nc(Cl)ccc1Cl.
What is the InChIKey of 1-(3,6-dichloro-2-pyridinyl)-N-methoxymethanamine?
The InChIKey is XTUSUXIGRGOCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c1-12-10-4-6-5(8)2-3-7(9)11-6/h2-3,10H,4H2,1H3.
What are the key properties of 1-(3,6-dichloro-2-pyridinyl)-N-methoxymethanamine?
1-(3,6-dichloro-2-pyridinyl)-N-methoxymethanamine has a molecular weight of 207.06 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichloro-2-pyridinyl)-N-methoxymethanamine is sourced from PubChem (CID 131041653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).