2-(furan-2-ylmethyl)-1-pyridin-2-ylguanidine;hydrochloride

C11H13ClN4O — CID 118730511

IUPAC2-(furan-2-ylmethyl)-1-pyridin-2-ylguanidine;hydrochloride
SMILESCl.N/C(=N\Cc1ccco1)Nc1ccccn1
InChIInChI=1S/C11H12N4O.ClH/c12-11(14-8-9-4-3-7-16-9)15-10-5-1-2-6-13-10;/h1-7H,8H2,(H3,12,13,14,15);1H
InChIKeyHHIMDYMDLOBZFF-UHFFFAOYSA-N
MW252.71 g/mol
LogP2.02
Rot. Bonds3

About 2-(furan-2-ylmethyl)-1-pyridin-2-ylguanidine;hydrochloride

2-(furan-2-ylmethyl)-1-pyridin-2-ylguanidine;hydrochloride (PubChem CID 118730511) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-1-pyridin-2-ylguanidine;hydrochloride.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-1-pyridin-2-ylguanidine;hydrochloride
PubChem CID118730511
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name2-(furan-2-ylmethyl)-1-pyridin-2-ylguanidine;hydrochloride
SMILESCl.N/C(=N\Cc1ccco1)Nc1ccccn1
InChIInChI=1S/C11H12N4O.ClH/c12-11(14-8-9-4-3-7-16-9)15-10-5-1-2-6-13-10;/h1-7H,8H2,(H3,12,13,14,15);1H
InChIKeyHHIMDYMDLOBZFF-UHFFFAOYSA-N
XLogP2.02
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(5-Bromopyridin-2-yl)-3-(furan-2-ylmethyl)thiourea
CID 978178
N-(2-furylmethyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide
CID 970504
N-[5-[(2,2-dimethyl-1-oxopropyl)amino]-2-pyridinyl]-2-furancarboxamide
CID 1452801
(2-Furylmethyl)(3-pyridinylmethyl)amine hydrochloride
CID 2815908
N-(2-furylmethyl)-N'-(3-methyl-2-pyridinyl)thiourea
CID 2981748
N-[6-(pentanoylamino)pyridin-3-yl]furan-2-carboxamide
CID 3213149
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 24251169
N-(2-furylmethyl)-N'-(6-methylpyridin-2-yl)thiourea
CID 3342641
3-Furan-2-yl-N-pyridin-2-yl-acrylamide
CID 839823
3-(2-furyl)-N-(5-methyl-2-pyridinyl)acrylamide
CID 898228
N-(3-methylpyridin-2-yl)furan-2-carboxamide
CID 3602278
Furan-2-ylmethylene-(4-pyridin-2-yl-piperazin-1-yl)-amine
CID 5343017

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-1-pyridin-2-ylguanidine;hydrochloride?
The IUPAC name of 2-(furan-2-ylmethyl)-1-pyridin-2-ylguanidine;hydrochloride (CID 118730511) is 2-(furan-2-ylmethyl)-1-pyridin-2-ylguanidine;hydrochloride.
What is the SMILES notation for 2-(furan-2-ylmethyl)-1-pyridin-2-ylguanidine;hydrochloride?
The canonical SMILES for 2-(furan-2-ylmethyl)-1-pyridin-2-ylguanidine;hydrochloride is Cl.N/C(=N\Cc1ccco1)Nc1ccccn1.
What is the InChIKey of 2-(furan-2-ylmethyl)-1-pyridin-2-ylguanidine;hydrochloride?
The InChIKey is HHIMDYMDLOBZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O.ClH/c12-11(14-8-9-4-3-7-16-9)15-10-5-1-2-6-13-10;/h1-7H,8H2,(H3,12,13,14,15);1H.
What are the key properties of 2-(furan-2-ylmethyl)-1-pyridin-2-ylguanidine;hydrochloride?
2-(furan-2-ylmethyl)-1-pyridin-2-ylguanidine;hydrochloride has a molecular weight of 252.71 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-1-pyridin-2-ylguanidine;hydrochloride is sourced from PubChem (CID 118730511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).