3-chloro-5-(oxan-2-ylmethyl)pyridine

C11H14ClNO — CID 57321336

IUPAC3-chloro-5-(oxan-2-ylmethyl)pyridine
SMILESClc1cncc(CC2CCCCO2)c1
InChIInChI=1S/C11H14ClNO/c12-10-5-9(7-13-8-10)6-11-3-1-2-4-14-11/h5,7-8,11H,1-4,6H2
InChIKeyVHUIVLAWKOUPMM-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.85
Rot. Bonds2

About 3-chloro-5-(oxan-2-ylmethyl)pyridine

3-chloro-5-(oxan-2-ylmethyl)pyridine (PubChem CID 57321336) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-chloro-5-(oxan-2-ylmethyl)pyridine.

Molecular Properties

Compound Name3-chloro-5-(oxan-2-ylmethyl)pyridine
PubChem CID57321336
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-chloro-5-(oxan-2-ylmethyl)pyridine
SMILESClc1cncc(CC2CCCCO2)c1
InChIInChI=1S/C11H14ClNO/c12-10-5-9(7-13-8-10)6-11-3-1-2-4-14-11/h5,7-8,11H,1-4,6H2
InChIKeyVHUIVLAWKOUPMM-UHFFFAOYSA-N
XLogP2.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-dichlorophenyl)methyl]oxolane
CID 173052103
3-chloro-5-(pyrrolidin-2-ylmethyl)pyridine
CID 115008960
2-benzyloxepane
CID 14272917
N-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014706
3-chloro-5-(oxan-2-yloxy)pyridine
CID 20594224
2-[(4-chloro-3-methylphenyl)methyl]oxane;formic acid
CID 142212155
3-[1-amino-2-(oxan-2-yl)ethyl]-5-chloropyridin-2-amine
CID 113391501
2-[(3,4-dichlorophenyl)methyl]oxane;2,3-dihydro-1H-indene;formic acid
CID 142212141
3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine
CID 61258069
6-chloro-N-[2-(oxan-2-yl)ethyl]pyrazin-2-amine
CID 103990689
1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol
CID 104736205
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
CID 61362605

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(oxan-2-ylmethyl)pyridine?
The IUPAC name of 3-chloro-5-(oxan-2-ylmethyl)pyridine (CID 57321336) is 3-chloro-5-(oxan-2-ylmethyl)pyridine.
What is the SMILES notation for 3-chloro-5-(oxan-2-ylmethyl)pyridine?
The canonical SMILES for 3-chloro-5-(oxan-2-ylmethyl)pyridine is Clc1cncc(CC2CCCCO2)c1.
What is the InChIKey of 3-chloro-5-(oxan-2-ylmethyl)pyridine?
The InChIKey is VHUIVLAWKOUPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-10-5-9(7-13-8-10)6-11-3-1-2-4-14-11/h5,7-8,11H,1-4,6H2.
What are the key properties of 3-chloro-5-(oxan-2-ylmethyl)pyridine?
3-chloro-5-(oxan-2-ylmethyl)pyridine has a molecular weight of 211.69 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(oxan-2-ylmethyl)pyridine is sourced from PubChem (CID 57321336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).