4-(bromomethyl)-2-[4-(bromomethyl)-2-pyridinyl]pyridine;[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol

C24H22Br2N4O2 — CID 158016356

IUPAC4-(bromomethyl)-2-[4-(bromomethyl)-2-pyridinyl]pyridine;[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol
SMILESBrCc1ccnc(-c2cc(CBr)ccn2)c1.OCc1ccnc(-c2cc(CO)ccn2)c1
InChIInChI=1S/C12H10Br2N2.C12H12N2O2/c13-7-9-1-3-15-11(5-9)12-6-10(8-14)2-4-16-12;15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14-12/h1-6H,7-8H2;1-6,15-16H,7-8H2
InChIKeyFFNAZDLZQOWZGN-UHFFFAOYSA-N
MW558.27 g/mol
LogP5.06
Rot. Bonds6

About 4-(bromomethyl)-2-[4-(bromomethyl)-2-pyridinyl]pyridine;[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol

4-(bromomethyl)-2-[4-(bromomethyl)-2-pyridinyl]pyridine;[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol (PubChem CID 158016356) has the molecular formula C24H22Br2N4O2 and a molecular weight of 558.27 g/mol. Its IUPAC name is 4-(bromomethyl)-2-[4-(bromomethyl)-2-pyridinyl]pyridine;[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name4-(bromomethyl)-2-[4-(bromomethyl)-2-pyridinyl]pyridine;[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol
PubChem CID158016356
Molecular FormulaC24H22Br2N4O2
Molecular Weight558.27 g/mol
Exact Mass556.01
IUPAC Name4-(bromomethyl)-2-[4-(bromomethyl)-2-pyridinyl]pyridine;[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol
SMILESBrCc1ccnc(-c2cc(CBr)ccn2)c1.OCc1ccnc(-c2cc(CO)ccn2)c1
InChIInChI=1S/C12H10Br2N2.C12H12N2O2/c13-7-9-1-3-15-11(5-9)12-6-10(8-14)2-4-16-12;15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14-12/h1-6H,7-8H2;1-6,15-16H,7-8H2
InChIKeyFFNAZDLZQOWZGN-UHFFFAOYSA-N
XLogP5.06
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.27
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(bromomethyl)-2-[4-(bromomethyl)-2-pyridinyl]pyridine;[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol?
The IUPAC name of 4-(bromomethyl)-2-[4-(bromomethyl)-2-pyridinyl]pyridine;[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol (CID 158016356) is 4-(bromomethyl)-2-[4-(bromomethyl)-2-pyridinyl]pyridine;[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol.
What is the SMILES notation for 4-(bromomethyl)-2-[4-(bromomethyl)-2-pyridinyl]pyridine;[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol?
The canonical SMILES for 4-(bromomethyl)-2-[4-(bromomethyl)-2-pyridinyl]pyridine;[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol is BrCc1ccnc(-c2cc(CBr)ccn2)c1.OCc1ccnc(-c2cc(CO)ccn2)c1.
What is the InChIKey of 4-(bromomethyl)-2-[4-(bromomethyl)-2-pyridinyl]pyridine;[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol?
The InChIKey is FFNAZDLZQOWZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2.C12H12N2O2/c13-7-9-1-3-15-11(5-9)12-6-10(8-14)2-4-16-12;15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14-12/h1-6H,7-8H2;1-6,15-16H,7-8H2.
What are the key properties of 4-(bromomethyl)-2-[4-(bromomethyl)-2-pyridinyl]pyridine;[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol?
4-(bromomethyl)-2-[4-(bromomethyl)-2-pyridinyl]pyridine;[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol has a molecular weight of 558.27 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-[4-(bromomethyl)-2-pyridinyl]pyridine;[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol is sourced from PubChem (CID 158016356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).