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

C8H6Cl2N4 — CID 114921142

IUPAC5-chloro-4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine
SMILESClCc1cc(-n2cncn2)ncc1Cl
InChIInChI=1S/C8H6Cl2N4/c9-2-6-1-8(12-3-7(6)10)14-5-11-4-13-14/h1,3-5H,2H2
InChIKeyQXRKZPKJKRBJSM-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.05
Rot. Bonds2

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

5-chloro-4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine (PubChem CID 114921142) has the molecular formula C8H6Cl2N4 and a molecular weight of 229.07 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine
PubChem CID114921142
Molecular FormulaC8H6Cl2N4
Molecular Weight229.07 g/mol
Exact Mass228.00
IUPAC Name5-chloro-4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine
SMILESClCc1cc(-n2cncn2)ncc1Cl
InChIInChI=1S/C8H6Cl2N4/c9-2-6-1-8(12-3-7(6)10)14-5-11-4-13-14/h1,3-5H,2H2
InChIKeyQXRKZPKJKRBJSM-UHFFFAOYSA-N
XLogP2.05
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.05
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

N-[[5-chloro-2-(1,2,4-triazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114927325
5-chloro-4-(chloromethyl)-2-(4-chloro-3-methylpyrazol-1-yl)pyridine
CID 114921166
4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine
CID 61257447
2-chloro-5-(1,2,4-triazol-1-yl)pyrazine
CID 77231195
5-chloro-4-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine
CID 114921158
5-(chloromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)pyrimidine
CID 130484776
4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 114920871
N-[(2,6-dichlorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691581
4-propan-2-yl-6-(1,2,4-triazol-1-yl)pyrimidine
CID 59333372
5-chloro-4-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine
CID 114921140
N-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 114841724
[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methanamine
CID 16773256

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine?
The IUPAC name of 5-chloro-4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine (CID 114921142) is 5-chloro-4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine?
The canonical SMILES for 5-chloro-4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine is ClCc1cc(-n2cncn2)ncc1Cl.
What is the InChIKey of 5-chloro-4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine?
The InChIKey is QXRKZPKJKRBJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N4/c9-2-6-1-8(12-3-7(6)10)14-5-11-4-13-14/h1,3-5H,2H2.
What are the key properties of 5-chloro-4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine?
5-chloro-4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine has a molecular weight of 229.07 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine is sourced from PubChem (CID 114921142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).