5-(chloromethyl)-2-pyrrol-1-ylpyridine

C10H9ClN2 — CID 130153324

IUPAC5-(chloromethyl)-2-pyrrol-1-ylpyridine
SMILESClCc1ccc(-n2cccc2)nc1
InChIInChI=1S/C10H9ClN2/c11-7-9-3-4-10(12-8-9)13-5-1-2-6-13/h1-6,8H,7H2
InChIKeyDPAQLBWVPFVTCA-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.61
Rot. Bonds2

About 5-(chloromethyl)-2-pyrrol-1-ylpyridine

5-(chloromethyl)-2-pyrrol-1-ylpyridine (PubChem CID 130153324) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 5-(chloromethyl)-2-pyrrol-1-ylpyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-pyrrol-1-ylpyridine
PubChem CID130153324
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name5-(chloromethyl)-2-pyrrol-1-ylpyridine
SMILESClCc1ccc(-n2cccc2)nc1
InChIInChI=1S/C10H9ClN2/c11-7-9-3-4-10(12-8-9)13-5-1-2-6-13/h1-6,8H,7H2
InChIKeyDPAQLBWVPFVTCA-UHFFFAOYSA-N
XLogP2.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-(chloromethyl)-2-pyrrol-1-ylpyridine?
The IUPAC name of 5-(chloromethyl)-2-pyrrol-1-ylpyridine (CID 130153324) is 5-(chloromethyl)-2-pyrrol-1-ylpyridine.
What is the SMILES notation for 5-(chloromethyl)-2-pyrrol-1-ylpyridine?
The canonical SMILES for 5-(chloromethyl)-2-pyrrol-1-ylpyridine is ClCc1ccc(-n2cccc2)nc1.
What is the InChIKey of 5-(chloromethyl)-2-pyrrol-1-ylpyridine?
The InChIKey is DPAQLBWVPFVTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c11-7-9-3-4-10(12-8-9)13-5-1-2-6-13/h1-6,8H,7H2.
What are the key properties of 5-(chloromethyl)-2-pyrrol-1-ylpyridine?
5-(chloromethyl)-2-pyrrol-1-ylpyridine has a molecular weight of 192.65 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-pyrrol-1-ylpyridine is sourced from PubChem (CID 130153324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).