2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine

C8H11ClN4O — CID 143232776

IUPAC2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine
SMILESCON/C(N)=N/Cc1ccc(Cl)nc1
InChIInChI=1S/C8H11ClN4O/c1-14-13-8(10)12-5-6-2-3-7(9)11-4-6/h2-4H,5H2,1H3,(H3,10,12,13)
InChIKeyDQECZMXSRLNDHC-UHFFFAOYSA-N
MW214.66 g/mol
LogP0.70
Rot. Bonds3

About 2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine

2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine (PubChem CID 143232776) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine
PubChem CID143232776
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC Name2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine
SMILESCON/C(N)=N/Cc1ccc(Cl)nc1
InChIInChI=1S/C8H11ClN4O/c1-14-13-8(10)12-5-6-2-3-7(9)11-4-6/h2-4H,5H2,1H3,(H3,10,12,13)
InChIKeyDQECZMXSRLNDHC-UHFFFAOYSA-N
XLogP0.70
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloro-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110916458
N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide
CID 22461898
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide
CID 110916460
2-[(6-chloro-3-pyridinyl)methyl]-1-(2-phenylethyl)guanidine
CID 111041913
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111041906
2-[(6-chloro-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111041944
2-[(6-chloro-3-pyridinyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111041924
2-chloro-5-(methoxymethyl)pyridine
CID 19010921
2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-[(4-methoxyphenyl)methyl]guanidine
CID 111182055
2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine
CID 62989669
N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111041986
1-(1-methoxypropan-2-yl)-2-[(6-methoxy-3-pyridinyl)methyl]guanidine
CID 111038786

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine (CID 143232776) is 2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine is CON/C(N)=N/Cc1ccc(Cl)nc1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine?
The InChIKey is DQECZMXSRLNDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O/c1-14-13-8(10)12-5-6-2-3-7(9)11-4-6/h2-4H,5H2,1H3,(H3,10,12,13).
What are the key properties of 2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine?
2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine has a molecular weight of 214.66 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine is sourced from PubChem (CID 143232776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).