3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine;hydrochloride

C10H11Cl2N3 — CID 126484269

IUPAC3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine;hydrochloride
SMILESCl.Cn1ccc(-c2cncc(CCl)c2)n1
InChIInChI=1S/C10H10ClN3.ClH/c1-14-3-2-10(13-14)9-4-8(5-11)6-12-7-9;/h2-4,6-7H,5H2,1H3;1H
InChIKeyCLWROKBZWYCZNQ-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.64
Rot. Bonds2

About 3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine;hydrochloride

3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine;hydrochloride (PubChem CID 126484269) has the molecular formula C10H11Cl2N3 and a molecular weight of 244.13 g/mol. Its IUPAC name is 3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine;hydrochloride.

Molecular Properties

Compound Name3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine;hydrochloride
PubChem CID126484269
Molecular FormulaC10H11Cl2N3
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine;hydrochloride
SMILESCl.Cn1ccc(-c2cncc(CCl)c2)n1
InChIInChI=1S/C10H10ClN3.ClH/c1-14-3-2-10(13-14)9-4-8(5-11)6-12-7-9;/h2-4,6-7H,5H2,1H3;1H
InChIKeyCLWROKBZWYCZNQ-UHFFFAOYSA-N
XLogP2.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine
CID 126484270
3-(1-methylpyrazol-3-yl)-5-propan-2-ylpyridine
CID 139423359
5-(chloromethyl)-2-(1-methylpyrazol-3-yl)pyrimidine
CID 65198161
[4-(1-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride
CID 118377536
3-(chloromethyl)-5-(3,4,5-trifluorophenyl)pyridine
CID 19079387
3-(3-bromophenyl)-5-(chloromethyl)pyridine
CID 165454262
4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine
CID 103132027
2,4-dichloro-6-(1-methylpyrazol-3-yl)pyrimidine
CID 178078429
3-(chloromethyl)-5-(2,4-difluorophenyl)pyridine
CID 165454838
3-bromo-5-(1-methylpyrazol-3-yl)pyridin-2-amine
CID 172631334
6-chloro-2-methoxy-3-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine
CID 129017539
2-chloro-6-(1-methylpyrazol-3-yl)pyridin-4-amine
CID 146020711

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine;hydrochloride?
The IUPAC name of 3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine;hydrochloride (CID 126484269) is 3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine;hydrochloride.
What is the SMILES notation for 3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine;hydrochloride?
The canonical SMILES for 3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine;hydrochloride is Cl.Cn1ccc(-c2cncc(CCl)c2)n1.
What is the InChIKey of 3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine;hydrochloride?
The InChIKey is CLWROKBZWYCZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3.ClH/c1-14-3-2-10(13-14)9-4-8(5-11)6-12-7-9;/h2-4,6-7H,5H2,1H3;1H.
What are the key properties of 3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine;hydrochloride?
3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine;hydrochloride has a molecular weight of 244.13 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine;hydrochloride is sourced from PubChem (CID 126484269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).