2-(3,3-difluorocyclobutyl)-1-pyridin-2-ylguanidine;hydroiodide

C10H13F2IN4 — CID 120514493

IUPAC2-(3,3-difluorocyclobutyl)-1-pyridin-2-ylguanidine;hydroiodide
SMILESI.N/C(=N\C1CC(F)(F)C1)Nc1ccccn1
InChIInChI=1S/C10H12F2N4.HI/c11-10(12)5-7(6-10)15-9(13)16-8-3-1-2-4-14-8;/h1-4,7H,5-6H2,(H3,13,14,15,16);1H
InChIKeyCOBANYHVZXKBKI-UHFFFAOYSA-N
MW354.14 g/mol
LogP2.22
Rot. Bonds2

About 2-(3,3-difluorocyclobutyl)-1-pyridin-2-ylguanidine;hydroiodide

2-(3,3-difluorocyclobutyl)-1-pyridin-2-ylguanidine;hydroiodide (PubChem CID 120514493) has the molecular formula C10H13F2IN4 and a molecular weight of 354.14 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-1-pyridin-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-1-pyridin-2-ylguanidine;hydroiodide
PubChem CID120514493
Molecular FormulaC10H13F2IN4
Molecular Weight354.14 g/mol
Exact Mass354.02
IUPAC Name2-(3,3-difluorocyclobutyl)-1-pyridin-2-ylguanidine;hydroiodide
SMILESI.N/C(=N\C1CC(F)(F)C1)Nc1ccccn1
InChIInChI=1S/C10H12F2N4.HI/c11-10(12)5-7(6-10)15-9(13)16-8-3-1-2-4-14-8;/h1-4,7H,5-6H2,(H3,13,14,15,16);1H
InChIKeyCOBANYHVZXKBKI-UHFFFAOYSA-N
XLogP2.22
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.14
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(3-methyl-3-phenylcyclobutyl)-1-pyridin-2-ylguanidine
CID 119147015
2-(2-methyl-2-propan-2-ylcyclopropyl)-1-pyridin-2-ylguanidine
CID 122098863
2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120762620
2-[3-(3-chloro-4-fluorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120679877
2-[3-(3,4-dichlorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine
CID 120679860
2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120762834
2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120605860
2-[(1-hydroxycyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119146788
1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide
CID 119118280
2-[[2-(4-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]-1-pyridin-2-ylguanidine
CID 122082078
2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119117281
2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine
CID 119146849

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)-1-pyridin-2-ylguanidine;hydroiodide?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-1-pyridin-2-ylguanidine;hydroiodide (CID 120514493) is 2-(3,3-difluorocyclobutyl)-1-pyridin-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-1-pyridin-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-1-pyridin-2-ylguanidine;hydroiodide is I.N/C(=N\C1CC(F)(F)C1)Nc1ccccn1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-1-pyridin-2-ylguanidine;hydroiodide?
The InChIKey is COBANYHVZXKBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4.HI/c11-10(12)5-7(6-10)15-9(13)16-8-3-1-2-4-14-8;/h1-4,7H,5-6H2,(H3,13,14,15,16);1H.
What are the key properties of 2-(3,3-difluorocyclobutyl)-1-pyridin-2-ylguanidine;hydroiodide?
2-(3,3-difluorocyclobutyl)-1-pyridin-2-ylguanidine;hydroiodide has a molecular weight of 354.14 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-1-pyridin-2-ylguanidine;hydroiodide is sourced from PubChem (CID 120514493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).