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

C10H10ClN3 — CID 105067565

IUPAC4-(chloromethyl)-3-(3-methylpyrazol-1-yl)pyridine
SMILESCc1ccn(-c2cnccc2CCl)n1
InChIInChI=1S/C10H10ClN3/c1-8-3-5-14(13-8)10-7-12-4-2-9(10)6-11/h2-5,7H,6H2,1H3
InChIKeyXIJFRDLANIOQPQ-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.31
Rot. Bonds2

About 4-(chloromethyl)-3-(3-methylpyrazol-1-yl)pyridine

4-(chloromethyl)-3-(3-methylpyrazol-1-yl)pyridine (PubChem CID 105067565) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 4-(chloromethyl)-3-(3-methylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-3-(3-methylpyrazol-1-yl)pyridine
PubChem CID105067565
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name4-(chloromethyl)-3-(3-methylpyrazol-1-yl)pyridine
SMILESCc1ccn(-c2cnccc2CCl)n1
InChIInChI=1S/C10H10ClN3/c1-8-3-5-14(13-8)10-7-12-4-2-9(10)6-11/h2-5,7H,6H2,1H3
InChIKeyXIJFRDLANIOQPQ-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-(3-methylpyrazol-1-yl)pyridine?
The IUPAC name of 4-(chloromethyl)-3-(3-methylpyrazol-1-yl)pyridine (CID 105067565) is 4-(chloromethyl)-3-(3-methylpyrazol-1-yl)pyridine.
What is the SMILES notation for 4-(chloromethyl)-3-(3-methylpyrazol-1-yl)pyridine?
The canonical SMILES for 4-(chloromethyl)-3-(3-methylpyrazol-1-yl)pyridine is Cc1ccn(-c2cnccc2CCl)n1.
What is the InChIKey of 4-(chloromethyl)-3-(3-methylpyrazol-1-yl)pyridine?
The InChIKey is XIJFRDLANIOQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-8-3-5-14(13-8)10-7-12-4-2-9(10)6-11/h2-5,7H,6H2,1H3.
What are the key properties of 4-(chloromethyl)-3-(3-methylpyrazol-1-yl)pyridine?
4-(chloromethyl)-3-(3-methylpyrazol-1-yl)pyridine has a molecular weight of 207.66 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-(3-methylpyrazol-1-yl)pyridine is sourced from PubChem (CID 105067565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).