2-(5-chloro-2-pyridinyl)guanidine;hydrochloride

C6H8Cl2N4 — CID 56840511

IUPAC2-(5-chloro-2-pyridinyl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1ccc(Cl)cn1
InChIInChI=1S/C6H7ClN4.ClH/c7-4-1-2-5(10-3-4)11-6(8)9;/h1-3H,(H4,8,9,10,11);1H
InChIKeyXCTDUVVDVANNBP-UHFFFAOYSA-N
MW207.06 g/mol
LogP1.06
Rot. Bonds1

About 2-(5-chloro-2-pyridinyl)guanidine;hydrochloride

2-(5-chloro-2-pyridinyl)guanidine;hydrochloride (PubChem CID 56840511) has the molecular formula C6H8Cl2N4 and a molecular weight of 207.06 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)guanidine;hydrochloride
PubChem CID56840511
Molecular FormulaC6H8Cl2N4
Molecular Weight207.06 g/mol
Exact Mass206.01
IUPAC Name2-(5-chloro-2-pyridinyl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1ccc(Cl)cn1
InChIInChI=1S/C6H7ClN4.ClH/c7-4-1-2-5(10-3-4)11-6(8)9;/h1-3H,(H4,8,9,10,11);1H
InChIKeyXCTDUVVDVANNBP-UHFFFAOYSA-N
XLogP1.06
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 51.06
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'}

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Related Compounds

2-Aminopyridine
CID 10439
2-Chloropyridine
CID 7977
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
3-Chloro-5-(trifluoromethyl)-2-pyridinamine
CID 607248
3-Chloropyridine
CID 12287
2,3-Dichloropyridine
CID 16988
2-Dimethylaminopyridine
CID 21885
2-Pyridinamine, N-methyl-
CID 20727
2-Pyridinamine, 5-iodo-
CID 88579
2-Amino-5-chloropyridine
CID 66174
2,5-Dichloropyridine
CID 27685

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)guanidine;hydrochloride?
The IUPAC name of 2-(5-chloro-2-pyridinyl)guanidine;hydrochloride (CID 56840511) is 2-(5-chloro-2-pyridinyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)guanidine;hydrochloride?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)guanidine;hydrochloride is Cl.NC(N)=Nc1ccc(Cl)cn1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)guanidine;hydrochloride?
The InChIKey is XCTDUVVDVANNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4.ClH/c7-4-1-2-5(10-3-4)11-6(8)9;/h1-3H,(H4,8,9,10,11);1H.
What are the key properties of 2-(5-chloro-2-pyridinyl)guanidine;hydrochloride?
2-(5-chloro-2-pyridinyl)guanidine;hydrochloride has a molecular weight of 207.06 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)guanidine;hydrochloride is sourced from PubChem (CID 56840511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).