2-chloro-5-(3-methoxycyclopentyl)pyridine;ethane;formaldehyde

C15H24ClNO3 — CID 143668410

IUPAC2-chloro-5-(3-methoxycyclopentyl)pyridine;ethane;formaldehyde
SMILESC=O.C=O.CC.COC1CCC(c2ccc(Cl)nc2)C1
InChIInChI=1S/C11H14ClNO.C2H6.2CH2O/c1-14-10-4-2-8(6-10)9-3-5-11(12)13-7-9;3*1-2/h3,5,7-8,10H,2,4,6H2,1H3;1-2H3;2*1H2
InChIKeyPGXKFQGHIMBKNN-UHFFFAOYSA-N
MW301.81 g/mol
LogP3.67
Rot. Bonds2

About 2-chloro-5-(3-methoxycyclopentyl)pyridine;ethane;formaldehyde

2-chloro-5-(3-methoxycyclopentyl)pyridine;ethane;formaldehyde (PubChem CID 143668410) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 2-chloro-5-(3-methoxycyclopentyl)pyridine;ethane;formaldehyde.

Molecular Properties

Compound Name2-chloro-5-(3-methoxycyclopentyl)pyridine;ethane;formaldehyde
PubChem CID143668410
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name2-chloro-5-(3-methoxycyclopentyl)pyridine;ethane;formaldehyde
SMILESC=O.C=O.CC.COC1CCC(c2ccc(Cl)nc2)C1
InChIInChI=1S/C11H14ClNO.C2H6.2CH2O/c1-14-10-4-2-8(6-10)9-3-5-11(12)13-7-9;3*1-2/h3,5,7-8,10H,2,4,6H2,1H3;1-2H3;2*1H2
InChIKeyPGXKFQGHIMBKNN-UHFFFAOYSA-N
XLogP3.67
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-methoxycyclopentyl)pyridine;ethane;formaldehyde?
The IUPAC name of 2-chloro-5-(3-methoxycyclopentyl)pyridine;ethane;formaldehyde (CID 143668410) is 2-chloro-5-(3-methoxycyclopentyl)pyridine;ethane;formaldehyde.
What is the SMILES notation for 2-chloro-5-(3-methoxycyclopentyl)pyridine;ethane;formaldehyde?
The canonical SMILES for 2-chloro-5-(3-methoxycyclopentyl)pyridine;ethane;formaldehyde is C=O.C=O.CC.COC1CCC(c2ccc(Cl)nc2)C1.
What is the InChIKey of 2-chloro-5-(3-methoxycyclopentyl)pyridine;ethane;formaldehyde?
The InChIKey is PGXKFQGHIMBKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO.C2H6.2CH2O/c1-14-10-4-2-8(6-10)9-3-5-11(12)13-7-9;3*1-2/h3,5,7-8,10H,2,4,6H2,1H3;1-2H3;2*1H2.
What are the key properties of 2-chloro-5-(3-methoxycyclopentyl)pyridine;ethane;formaldehyde?
2-chloro-5-(3-methoxycyclopentyl)pyridine;ethane;formaldehyde has a molecular weight of 301.81 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-methoxycyclopentyl)pyridine;ethane;formaldehyde is sourced from PubChem (CID 143668410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).