2-[(6-chloro-3-pyridinyl)methyl]-1,1-diethylguanidine;hydroiodide

C11H18ClIN4 — CID 111041924

IUPAC2-[(6-chloro-3-pyridinyl)methyl]-1,1-diethylguanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/Cc1ccc(Cl)nc1.I
InChIInChI=1S/C11H17ClN4.HI/c1-3-16(4-2)11(13)15-8-9-5-6-10(12)14-7-9;/h5-7H,3-4,8H2,1-2H3,(H2,13,15);1H
InChIKeyYZEWAOSVHVGAFA-UHFFFAOYSA-N
MW368.65 g/mol
LogP2.51
Rot. Bonds4

About 2-[(6-chloro-3-pyridinyl)methyl]-1,1-diethylguanidine;hydroiodide

2-[(6-chloro-3-pyridinyl)methyl]-1,1-diethylguanidine;hydroiodide (PubChem CID 111041924) has the molecular formula C11H18ClIN4 and a molecular weight of 368.65 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methyl]-1,1-diethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methyl]-1,1-diethylguanidine;hydroiodide
PubChem CID111041924
Molecular FormulaC11H18ClIN4
Molecular Weight368.65 g/mol
Exact Mass368.03
IUPAC Name2-[(6-chloro-3-pyridinyl)methyl]-1,1-diethylguanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/Cc1ccc(Cl)nc1.I
InChIInChI=1S/C11H17ClN4.HI/c1-3-16(4-2)11(13)15-8-9-5-6-10(12)14-7-9;/h5-7H,3-4,8H2,1-2H3,(H2,13,15);1H
InChIKeyYZEWAOSVHVGAFA-UHFFFAOYSA-N
XLogP2.51
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.65
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111022759
N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide
CID 22461898
2-[(4-tert-butylphenyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111045461
2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine
CID 143232776
1,1-diethyl-2-[(4-methylsulfanylphenyl)methyl]guanidine;hydroiodide
CID 111079356
2-[(6-chloro-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111041944
1,1-diethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111081429
2-[(6-chloro-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110916458
N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111041986
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide
CID 110916460
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111065817
1,1-diethyl-2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]guanidine
CID 111053387

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl]-1,1-diethylguanidine;hydroiodide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl]-1,1-diethylguanidine;hydroiodide (CID 111041924) is 2-[(6-chloro-3-pyridinyl)methyl]-1,1-diethylguanidine;hydroiodide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methyl]-1,1-diethylguanidine;hydroiodide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methyl]-1,1-diethylguanidine;hydroiodide is CCN(CC)/C(N)=N/Cc1ccc(Cl)nc1.I.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methyl]-1,1-diethylguanidine;hydroiodide?
The InChIKey is YZEWAOSVHVGAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4.HI/c1-3-16(4-2)11(13)15-8-9-5-6-10(12)14-7-9;/h5-7H,3-4,8H2,1-2H3,(H2,13,15);1H.
What are the key properties of 2-[(6-chloro-3-pyridinyl)methyl]-1,1-diethylguanidine;hydroiodide?
2-[(6-chloro-3-pyridinyl)methyl]-1,1-diethylguanidine;hydroiodide has a molecular weight of 368.65 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methyl]-1,1-diethylguanidine;hydroiodide is sourced from PubChem (CID 111041924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).