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

C10H10ClN3 — CID 126484270

IUPAC3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine
SMILESCn1ccc(-c2cncc(CCl)c2)n1
InChIInChI=1S/C10H10ClN3/c1-14-3-2-10(13-14)9-4-8(5-11)6-12-7-9/h2-4,6-7H,5H2,1H3
InChIKeyCBRXUBIJBDFHKW-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.22
Rot. Bonds2

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

3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine (PubChem CID 126484270) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine
PubChem CID126484270
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine
SMILESCn1ccc(-c2cncc(CCl)c2)n1
InChIInChI=1S/C10H10ClN3/c1-14-3-2-10(13-14)9-4-8(5-11)6-12-7-9/h2-4,6-7H,5H2,1H3
InChIKeyCBRXUBIJBDFHKW-UHFFFAOYSA-N
XLogP2.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.22
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;hydrochloride
CID 126484269
3-(1-methylpyrazol-3-yl)-5-propan-2-ylpyridine
CID 139423359
5-(chloromethyl)-2-(1-methylpyrazol-3-yl)pyrimidine
CID 65198161
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
[4-(1-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride
CID 118377536
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?
The IUPAC name of 3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine (CID 126484270) is 3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine.
What is the SMILES notation for 3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine?
The canonical SMILES for 3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine is Cn1ccc(-c2cncc(CCl)c2)n1.
What is the InChIKey of 3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine?
The InChIKey is CBRXUBIJBDFHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-14-3-2-10(13-14)9-4-8(5-11)6-12-7-9/h2-4,6-7H,5H2,1H3.
What are the key properties of 3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine?
3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine has a molecular weight of 207.66 g/mol, XLogP of 2.22, 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 is sourced from PubChem (CID 126484270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).