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

C9H7Cl2N3 — CID 105067554

IUPAC4-(chloromethyl)-3-(4-chloropyrazol-1-yl)pyridine
SMILESClCc1ccncc1-n1cc(Cl)cn1
InChIInChI=1S/C9H7Cl2N3/c10-3-7-1-2-12-5-9(7)14-6-8(11)4-13-14/h1-2,4-6H,3H2
InChIKeyVXCYRAPNNIWBGV-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.66
Rot. Bonds2

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

4-(chloromethyl)-3-(4-chloropyrazol-1-yl)pyridine (PubChem CID 105067554) has the molecular formula C9H7Cl2N3 and a molecular weight of 228.08 g/mol. Its IUPAC name is 4-(chloromethyl)-3-(4-chloropyrazol-1-yl)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-3-(4-chloropyrazol-1-yl)pyridine
PubChem CID105067554
Molecular FormulaC9H7Cl2N3
Molecular Weight228.08 g/mol
Exact Mass227.00
IUPAC Name4-(chloromethyl)-3-(4-chloropyrazol-1-yl)pyridine
SMILESClCc1ccncc1-n1cc(Cl)cn1
InChIInChI=1S/C9H7Cl2N3/c10-3-7-1-2-12-5-9(7)14-6-8(11)4-13-14/h1-2,4-6H,3H2
InChIKeyVXCYRAPNNIWBGV-UHFFFAOYSA-N
XLogP2.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.66
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-(4-chloropyrazol-1-yl)pyridine?
The IUPAC name of 4-(chloromethyl)-3-(4-chloropyrazol-1-yl)pyridine (CID 105067554) is 4-(chloromethyl)-3-(4-chloropyrazol-1-yl)pyridine.
What is the SMILES notation for 4-(chloromethyl)-3-(4-chloropyrazol-1-yl)pyridine?
The canonical SMILES for 4-(chloromethyl)-3-(4-chloropyrazol-1-yl)pyridine is ClCc1ccncc1-n1cc(Cl)cn1.
What is the InChIKey of 4-(chloromethyl)-3-(4-chloropyrazol-1-yl)pyridine?
The InChIKey is VXCYRAPNNIWBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3/c10-3-7-1-2-12-5-9(7)14-6-8(11)4-13-14/h1-2,4-6H,3H2.
What are the key properties of 4-(chloromethyl)-3-(4-chloropyrazol-1-yl)pyridine?
4-(chloromethyl)-3-(4-chloropyrazol-1-yl)pyridine has a molecular weight of 228.08 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-(4-chloropyrazol-1-yl)pyridine is sourced from PubChem (CID 105067554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).