2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine

C8H7ClN4 — CID 178122205

IUPAC2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine
SMILESClc1ccc(Cn2cnnc2)cn1
InChIInChI=1S/C8H7ClN4/c9-8-2-1-7(3-10-8)4-13-5-11-12-6-13/h1-3,5-6H,4H2
InChIKeyIYZAJWKGSAFCLZ-UHFFFAOYSA-N
MW194.63 g/mol
LogP1.37
Rot. Bonds2

About 2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine

2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine (PubChem CID 178122205) has the molecular formula C8H7ClN4 and a molecular weight of 194.63 g/mol. Its IUPAC name is 2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine
PubChem CID178122205
Molecular FormulaC8H7ClN4
Molecular Weight194.63 g/mol
Exact Mass194.04
IUPAC Name2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine
SMILESClc1ccc(Cn2cnnc2)cn1
InChIInChI=1S/C8H7ClN4/c9-8-2-1-7(3-10-8)4-13-5-11-12-6-13/h1-3,5-6H,4H2
InChIKeyIYZAJWKGSAFCLZ-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[(4-nitroimidazol-1-yl)methyl]pyridine
CID 24696081
2-phenyl-5-(1,2,4-triazol-4-ylmethyl)pyridine
CID 57329790
2-chloro-5-(iodomethyl)pyridine
CID 11149463
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
2-chloro-5-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 60872723
(4R)-2-[(6-chloro-3-pyridinyl)methyl]-1,2-oxazolidin-4-ol
CID 130523883
1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
CID 43556713
[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 60582294
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321888
1,3,5-tris[(6-chloro-3-pyridinyl)methyl]triazinane
CID 87655819
3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-one
CID 63312214
1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione
CID 122226815

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine?
The IUPAC name of 2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine (CID 178122205) is 2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine.
What is the SMILES notation for 2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine?
The canonical SMILES for 2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine is Clc1ccc(Cn2cnnc2)cn1.
What is the InChIKey of 2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine?
The InChIKey is IYZAJWKGSAFCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c9-8-2-1-7(3-10-8)4-13-5-11-12-6-13/h1-3,5-6H,4H2.
What are the key properties of 2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine?
2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine has a molecular weight of 194.63 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine is sourced from PubChem (CID 178122205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).