2-chloro-6-(trichloromethyl)pyridine;2-cyanoguanidine

C8H7Cl4N5 — CID 129057148

IUPAC2-chloro-6-(trichloromethyl)pyridine;2-cyanoguanidine
SMILESClc1cccc(C(Cl)(Cl)Cl)n1.N#CN=C(N)N
InChIInChI=1S/C6H3Cl4N.C2H4N4/c7-5-3-1-2-4(11-5)6(8,9)10;3-1-6-2(4)5/h1-3H;(H4,4,5,6)
InChIKeyJAIAABHKXWQYCT-UHFFFAOYSA-N
MW314.99 g/mol
LogP2.30
Rot. Bonds

About 2-chloro-6-(trichloromethyl)pyridine;2-cyanoguanidine

2-chloro-6-(trichloromethyl)pyridine;2-cyanoguanidine (PubChem CID 129057148) has the molecular formula C8H7Cl4N5 and a molecular weight of 314.99 g/mol. Its IUPAC name is 2-chloro-6-(trichloromethyl)pyridine;2-cyanoguanidine.

Molecular Properties

Compound Name2-chloro-6-(trichloromethyl)pyridine;2-cyanoguanidine
PubChem CID129057148
Molecular FormulaC8H7Cl4N5
Molecular Weight314.99 g/mol
Exact Mass312.95
IUPAC Name2-chloro-6-(trichloromethyl)pyridine;2-cyanoguanidine
SMILESClc1cccc(C(Cl)(Cl)Cl)n1.N#CN=C(N)N
InChIInChI=1S/C6H3Cl4N.C2H4N4/c7-5-3-1-2-4(11-5)6(8,9)10;3-1-6-2(4)5/h1-3H;(H4,4,5,6)
InChIKeyJAIAABHKXWQYCT-UHFFFAOYSA-N
XLogP2.30
TPSA101.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.99
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

benzene;2-cyanoguanidine
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CID 87768298
2-bromo-2-(6-chloro-2-pyridinyl)propanehydrazide
CID 86737685
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sodium;2-cyanoguanidine;formaldehyde;naphthalene-2-sulfonate
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bis(2-cyanoguanidine);cyclohexane
CID 23431649
2-chloro-6-(6-chloro-2-pyridinyl)pyridine
CID 10987918
2-(6-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)propanenitrile
CID 178134647
2-(3-chloro-2-methylphenyl)guanidine
CID 45496576
2-chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 158174130

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(trichloromethyl)pyridine;2-cyanoguanidine?
The IUPAC name of 2-chloro-6-(trichloromethyl)pyridine;2-cyanoguanidine (CID 129057148) is 2-chloro-6-(trichloromethyl)pyridine;2-cyanoguanidine.
What is the SMILES notation for 2-chloro-6-(trichloromethyl)pyridine;2-cyanoguanidine?
The canonical SMILES for 2-chloro-6-(trichloromethyl)pyridine;2-cyanoguanidine is Clc1cccc(C(Cl)(Cl)Cl)n1.N#CN=C(N)N.
What is the InChIKey of 2-chloro-6-(trichloromethyl)pyridine;2-cyanoguanidine?
The InChIKey is JAIAABHKXWQYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl4N.C2H4N4/c7-5-3-1-2-4(11-5)6(8,9)10;3-1-6-2(4)5/h1-3H;(H4,4,5,6).
What are the key properties of 2-chloro-6-(trichloromethyl)pyridine;2-cyanoguanidine?
2-chloro-6-(trichloromethyl)pyridine;2-cyanoguanidine has a molecular weight of 314.99 g/mol, XLogP of 2.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(trichloromethyl)pyridine;2-cyanoguanidine is sourced from PubChem (CID 129057148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).