2-[5-(chloromethyl)-1,2,4-triazol-1-yl]pyridine

C8H7ClN4 — CID 107447271

IUPAC2-[5-(chloromethyl)-1,2,4-triazol-1-yl]pyridine
SMILESClCc1ncnn1-c1ccccn1
InChIInChI=1S/C8H7ClN4/c9-5-8-11-6-12-13(8)7-3-1-2-4-10-7/h1-4,6H,5H2
InChIKeyVRTWZMLOVHZXIT-UHFFFAOYSA-N
MW194.63 g/mol
LogP1.40
Rot. Bonds2

About 2-[5-(chloromethyl)-1,2,4-triazol-1-yl]pyridine

2-[5-(chloromethyl)-1,2,4-triazol-1-yl]pyridine (PubChem CID 107447271) has the molecular formula C8H7ClN4 and a molecular weight of 194.63 g/mol. Its IUPAC name is 2-[5-(chloromethyl)-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[5-(chloromethyl)-1,2,4-triazol-1-yl]pyridine
PubChem CID107447271
Molecular FormulaC8H7ClN4
Molecular Weight194.63 g/mol
Exact Mass194.04
IUPAC Name2-[5-(chloromethyl)-1,2,4-triazol-1-yl]pyridine
SMILESClCc1ncnn1-c1ccccn1
InChIInChI=1S/C8H7ClN4/c9-5-8-11-6-12-13(8)7-3-1-2-4-10-7/h1-4,6H,5H2
InChIKeyVRTWZMLOVHZXIT-UHFFFAOYSA-N
XLogP1.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.63
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(2-bromoethyl)-1,2,4-triazol-1-yl]pyridine
CID 135185425
2-(5-methyl-1,2,4-triazol-1-yl)pyridine
CID 154284403
2-[5-(chloromethyl)-3-phenyl-1,2,4-triazol-1-yl]pyridine
CID 86677493
2-[4-(chloromethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 66436390
N-[1-(2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 135185533
ethane;2-(5-methylpyrazol-1-yl)pyridine
CID 90883598
2-(3,5-dimethylpyrazol-1-yl)pyridine
CID 676764
(2-isoquinolin-3-yl-1,2,4-triazol-3-yl)methylazanium chloride
CID 169041911
(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanol
CID 66438330
3-ethyl-N-[(2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethylsulfanyl)benzamide
CID 166817276
2-(chloromethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine
CID 107373291
5-ethyl-3-methyl-1-pyridin-2-ylpyrazol-4-ol
CID 90747187

Frequently Asked Questions

What is the IUPAC name of 2-[5-(chloromethyl)-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 2-[5-(chloromethyl)-1,2,4-triazol-1-yl]pyridine (CID 107447271) is 2-[5-(chloromethyl)-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 2-[5-(chloromethyl)-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 2-[5-(chloromethyl)-1,2,4-triazol-1-yl]pyridine is ClCc1ncnn1-c1ccccn1.
What is the InChIKey of 2-[5-(chloromethyl)-1,2,4-triazol-1-yl]pyridine?
The InChIKey is VRTWZMLOVHZXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c9-5-8-11-6-12-13(8)7-3-1-2-4-10-7/h1-4,6H,5H2.
What are the key properties of 2-[5-(chloromethyl)-1,2,4-triazol-1-yl]pyridine?
2-[5-(chloromethyl)-1,2,4-triazol-1-yl]pyridine has a molecular weight of 194.63 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(chloromethyl)-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 107447271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).