5-chloro-4-(chloromethyl)-2-(3-phenylpyrrolidin-1-yl)pyridine

C16H16Cl2N2 — CID 114921014

IUPAC5-chloro-4-(chloromethyl)-2-(3-phenylpyrrolidin-1-yl)pyridine
SMILESClCc1cc(N2CCC(c3ccccc3)C2)ncc1Cl
InChIInChI=1S/C16H16Cl2N2/c17-9-14-8-16(19-10-15(14)18)20-7-6-13(11-20)12-4-2-1-3-5-12/h1-5,8,10,13H,6-7,9,11H2
InChIKeyOFKJRFAVDYPMGS-UHFFFAOYSA-N
MW307.22 g/mol
LogP4.47
Rot. Bonds3

About 5-chloro-4-(chloromethyl)-2-(3-phenylpyrrolidin-1-yl)pyridine

5-chloro-4-(chloromethyl)-2-(3-phenylpyrrolidin-1-yl)pyridine (PubChem CID 114921014) has the molecular formula C16H16Cl2N2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-2-(3-phenylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-2-(3-phenylpyrrolidin-1-yl)pyridine
PubChem CID114921014
Molecular FormulaC16H16Cl2N2
Molecular Weight307.22 g/mol
Exact Mass306.07
IUPAC Name5-chloro-4-(chloromethyl)-2-(3-phenylpyrrolidin-1-yl)pyridine
SMILESClCc1cc(N2CCC(c3ccccc3)C2)ncc1Cl
InChIInChI=1S/C16H16Cl2N2/c17-9-14-8-16(19-10-15(14)18)20-7-6-13(11-20)12-4-2-1-3-5-12/h1-5,8,10,13H,6-7,9,11H2
InChIKeyOFKJRFAVDYPMGS-UHFFFAOYSA-N
XLogP4.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.47
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

5-(3-phenylpyrrolidin-1-yl)pyrazin-2-amine
CID 80652395
1-[5-chloro-4-(chloromethyl)-2-pyridinyl]-4-methylazepane
CID 114921058
4-chloro-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine
CID 78984004
1-[4-(chloromethyl)-3-methylphenyl]-3-phenylpyrrolidine
CID 62131581
[3-chloro-6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine
CID 62298745
N-methyl-1-[5-(3-phenylpyrrolidin-1-yl)pyrazin-2-yl]methanamine
CID 107378764
4-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
CID 175743104
[2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]methanol
CID 114920499
N-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80822469
4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 114920871
1-[2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114927093
5-iodo-2-(3-phenylpyrrolidin-1-yl)pyrimidine
CID 104843440

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-2-(3-phenylpyrrolidin-1-yl)pyridine?
The IUPAC name of 5-chloro-4-(chloromethyl)-2-(3-phenylpyrrolidin-1-yl)pyridine (CID 114921014) is 5-chloro-4-(chloromethyl)-2-(3-phenylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-2-(3-phenylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 5-chloro-4-(chloromethyl)-2-(3-phenylpyrrolidin-1-yl)pyridine is ClCc1cc(N2CCC(c3ccccc3)C2)ncc1Cl.
What is the InChIKey of 5-chloro-4-(chloromethyl)-2-(3-phenylpyrrolidin-1-yl)pyridine?
The InChIKey is OFKJRFAVDYPMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2/c17-9-14-8-16(19-10-15(14)18)20-7-6-13(11-20)12-4-2-1-3-5-12/h1-5,8,10,13H,6-7,9,11H2.
What are the key properties of 5-chloro-4-(chloromethyl)-2-(3-phenylpyrrolidin-1-yl)pyridine?
5-chloro-4-(chloromethyl)-2-(3-phenylpyrrolidin-1-yl)pyridine has a molecular weight of 307.22 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-2-(3-phenylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 114921014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).