5-chloro-4-(chloromethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine

C10H9Cl2N3O — CID 114921335

IUPAC5-chloro-4-(chloromethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine
SMILESCc1cc(Oc2cc(CCl)c(Cl)cn2)n[nH]1
InChIInChI=1S/C10H9Cl2N3O/c1-6-2-10(15-14-6)16-9-3-7(4-11)8(12)5-13-9/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyPCEHWJFLJGMCQB-UHFFFAOYSA-N
MW258.11 g/mol
LogP3.30
Rot. Bonds3

About 5-chloro-4-(chloromethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine

5-chloro-4-(chloromethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine (PubChem CID 114921335) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine
PubChem CID114921335
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name5-chloro-4-(chloromethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine
SMILESCc1cc(Oc2cc(CCl)c(Cl)cn2)n[nH]1
InChIInChI=1S/C10H9Cl2N3O/c1-6-2-10(15-14-6)16-9-3-7(4-11)8(12)5-13-9/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyPCEHWJFLJGMCQB-UHFFFAOYSA-N
XLogP3.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-pyridinyl]methanol
CID 114920744
2-butoxy-5-chloro-4-(chloromethyl)pyridine
CID 114921209
2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine
CID 81341581
[5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]methanamine
CID 81342055
5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine
CID 114921279
5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine
CID 114921271
5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine
CID 114921355
5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbonitrile
CID 81341848
5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine
CID 114921190
N-[[5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine
CID 81342700
5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid
CID 81341368
3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 107387690

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine?
The IUPAC name of 5-chloro-4-(chloromethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine (CID 114921335) is 5-chloro-4-(chloromethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine?
The canonical SMILES for 5-chloro-4-(chloromethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine is Cc1cc(Oc2cc(CCl)c(Cl)cn2)n[nH]1.
What is the InChIKey of 5-chloro-4-(chloromethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine?
The InChIKey is PCEHWJFLJGMCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c1-6-2-10(15-14-6)16-9-3-7(4-11)8(12)5-13-9/h2-3,5H,4H2,1H3,(H,14,15).
What are the key properties of 5-chloro-4-(chloromethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine?
5-chloro-4-(chloromethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine has a molecular weight of 258.11 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine is sourced from PubChem (CID 114921335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).