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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Related Compounds

2-chloro-5-(4,4-difluorocyclohexyl)pyridine
CID 174780883
9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane
CID 57485609
6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide
CID 104578722
methyl (1S,2S,4R)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 102123810
(4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one
CID 131173186
2-(6-chloro-3-pyridinyl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 87516542
2-(6-chloro-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane
CID 11601009
2-chloro-5-[(2R)-2-methylsulfanylcyclopentyl]pyridine
CID 88937447
tert-butyl 3-(6-chloro-3-pyridinyl)-2-oxopyrrolidine-1-carboxylate
CID 118348145
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194804
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride
CID 164890613
(1S,2R,3S,4R)-3-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-2-amine
CID 155556197

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).