5-(chloromethyl)-N-pyridin-2-yl-1,3,4-oxadiazol-2-amine

C8H7ClN4O — CID 106958159

IUPAC5-(chloromethyl)-N-pyridin-2-yl-1,3,4-oxadiazol-2-amine
SMILESClCc1nnc(Nc2ccccn2)o1
InChIInChI=1S/C8H7ClN4O/c9-5-7-12-13-8(14-7)11-6-3-1-2-4-10-6/h1-4H,5H2,(H,10,11,13)
InChIKeyLAYHXHUDYLESQU-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.95
Rot. Bonds3

About 5-(chloromethyl)-N-pyridin-2-yl-1,3,4-oxadiazol-2-amine

5-(chloromethyl)-N-pyridin-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 106958159) has the molecular formula C8H7ClN4O and a molecular weight of 210.62 g/mol. Its IUPAC name is 5-(chloromethyl)-N-pyridin-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-pyridin-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID106958159
Molecular FormulaC8H7ClN4O
Molecular Weight210.62 g/mol
Exact Mass210.03
IUPAC Name5-(chloromethyl)-N-pyridin-2-yl-1,3,4-oxadiazol-2-amine
SMILESClCc1nnc(Nc2ccccn2)o1
InChIInChI=1S/C8H7ClN4O/c9-5-7-12-13-8(14-7)11-6-3-1-2-4-10-6/h1-4H,5H2,(H,10,11,13)
InChIKeyLAYHXHUDYLESQU-UHFFFAOYSA-N
XLogP1.95
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106956482
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
N-(2-bromo-5-fluorophenyl)-5-(chloromethyl)-1,3,4-oxadiazol-2-amine
CID 107632717
5-(chloromethyl)-N-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106958967
5-(2-aminoethyl)-N-pyridazin-3-yl-1,3,4-oxadiazol-2-amine
CID 106965275
5-(chloromethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine
CID 106956629
N-(2-bromophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956430
1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
CID 139175237
5-(chloromethyl)-N-(4-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106956485
5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106956442
5-(aminomethyl)-N-pyridin-2-yl-1,2,4-oxadiazol-3-amine
CID 83618940
N-chloropyridin-2-amine
CID 22481248

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-pyridin-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(chloromethyl)-N-pyridin-2-yl-1,3,4-oxadiazol-2-amine (CID 106958159) is 5-(chloromethyl)-N-pyridin-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-pyridin-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-pyridin-2-yl-1,3,4-oxadiazol-2-amine is ClCc1nnc(Nc2ccccn2)o1.
What is the InChIKey of 5-(chloromethyl)-N-pyridin-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is LAYHXHUDYLESQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O/c9-5-7-12-13-8(14-7)11-6-3-1-2-4-10-6/h1-4H,5H2,(H,10,11,13).
What are the key properties of 5-(chloromethyl)-N-pyridin-2-yl-1,3,4-oxadiazol-2-amine?
5-(chloromethyl)-N-pyridin-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 210.62 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-pyridin-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106958159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).