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

C8H7ClN4 — CID 61257447

IUPAC4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine
SMILESClCc1ccnc(-n2cncn2)c1
InChIInChI=1S/C8H7ClN4/c9-4-7-1-2-11-8(3-7)13-6-10-5-12-13/h1-3,5-6H,4H2
InChIKeyUNMYSTLFFDQSTP-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.40
Rot. Bonds2

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

4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine (PubChem CID 61257447) has the molecular formula C8H7ClN4 and a molecular weight of 194.62 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine
PubChem CID61257447
Molecular FormulaC8H7ClN4
Molecular Weight194.62 g/mol
Exact Mass194.04
IUPAC Name4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine
SMILESClCc1ccnc(-n2cncn2)c1
InChIInChI=1S/C8H7ClN4/c9-4-7-1-2-11-8(3-7)13-6-10-5-12-13/h1-3,5-6H,4H2
InChIKeyUNMYSTLFFDQSTP-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 ≤ 500194.62
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

1-[5-(chloromethyl)-2-methylphenyl]-1,2,4-triazole
CID 105405915
5-chloro-4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine
CID 114921142
1-[4-(chloromethyl)-2,6-difluorophenyl]-1,2,4-triazole
CID 63077069
2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
N-[3-(pyrimidin-2-ylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091827
[3-(dimethylamino)phenyl]methyl 2-(1,2,4-triazol-1-yl)pyridine-4-carboxylate
CID 154749121
1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine
CID 61445466
2-chloro-4-(chloromethyl)pyridine
CID 11126573
[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methanamine
CID 16773256
N-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 154751807
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 109388013
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168568

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine?
The IUPAC name of 4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine (CID 61257447) is 4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine?
The canonical SMILES for 4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine is ClCc1ccnc(-n2cncn2)c1.
What is the InChIKey of 4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine?
The InChIKey is UNMYSTLFFDQSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c9-4-7-1-2-11-8(3-7)13-6-10-5-12-13/h1-3,5-6H,4H2.
What are the key properties of 4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine?
4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine has a molecular weight of 194.62 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 4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine is sourced from PubChem (CID 61257447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).