3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine

C17H13ClN2 — CID 46316472

IUPAC3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine
SMILESClCc1cc(-c2cccnc2)ccc1-c1ccncc1
InChIInChI=1S/C17H13ClN2/c18-11-16-10-14(15-2-1-7-20-12-15)3-4-17(16)13-5-8-19-9-6-13/h1-10,12H,11H2
InChIKeyVWLYNXOQUHSEMN-UHFFFAOYSA-N
MW280.76 g/mol
LogP4.55
Rot. Bonds3

About 3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine

3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine (PubChem CID 46316472) has the molecular formula C17H13ClN2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine.

Molecular Properties

Compound Name3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine
PubChem CID46316472
Molecular FormulaC17H13ClN2
Molecular Weight280.76 g/mol
Exact Mass280.08
IUPAC Name3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine
SMILESClCc1cc(-c2cccnc2)ccc1-c1ccncc1
InChIInChI=1S/C17H13ClN2/c18-11-16-10-14(15-2-1-7-20-12-15)3-4-17(16)13-5-8-19-9-6-13/h1-10,12H,11H2
InChIKeyVWLYNXOQUHSEMN-UHFFFAOYSA-N
XLogP4.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(chloromethyl)-5-pyridin-3-ylphenyl]pyridine
CID 46316469
3-[3-(chloromethyl)-4-(trifluoromethyl)phenyl]pyridine
CID 46316213
3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
CID 158129947
3-[2-(chloromethyl)phenyl]pyridine;hydrochloride
CID 89497165
3-(chloromethyl)-4-phenylpyridine
CID 130967396
3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 51358299
4-[2-(chloromethyl)phenyl]pyridine;hydrochloride
CID 89497052
(2-methyl-5-pyridin-3-ylphenyl)methanol
CID 153475584
3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 67990643
2-[3-[2-(chloromethyl)-4-pyridin-3-ylphenyl]-2-methylprop-2-enoxy]ethanol
CID 70416045
2-(2-chloro-5-pyridin-3-ylphenyl)acetic acid
CID 166638918
5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine
CID 165097309

Frequently Asked Questions

What is the IUPAC name of 3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine?
The IUPAC name of 3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine (CID 46316472) is 3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine.
What is the SMILES notation for 3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine?
The canonical SMILES for 3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine is ClCc1cc(-c2cccnc2)ccc1-c1ccncc1.
What is the InChIKey of 3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine?
The InChIKey is VWLYNXOQUHSEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2/c18-11-16-10-14(15-2-1-7-20-12-15)3-4-17(16)13-5-8-19-9-6-13/h1-10,12H,11H2.
What are the key properties of 3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine?
3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine has a molecular weight of 280.76 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine is sourced from PubChem (CID 46316472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).