4-(5-chloro-2-pyridinyl)-1,4-oxazepane

C10H13ClN2O — CID 66234346

IUPAC4-(5-chloro-2-pyridinyl)-1,4-oxazepane
SMILESClc1ccc(N2CCCOCC2)nc1
InChIInChI=1S/C10H13ClN2O/c11-9-2-3-10(12-8-9)13-4-1-6-14-7-5-13/h2-3,8H,1,4-7H2
InChIKeySPYSBUWXHIIOKH-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.96
Rot. Bonds1

About 4-(5-chloro-2-pyridinyl)-1,4-oxazepane

4-(5-chloro-2-pyridinyl)-1,4-oxazepane (PubChem CID 66234346) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-1,4-oxazepane.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-1,4-oxazepane
PubChem CID66234346
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name4-(5-chloro-2-pyridinyl)-1,4-oxazepane
SMILESClc1ccc(N2CCCOCC2)nc1
InChIInChI=1S/C10H13ClN2O/c11-9-2-3-10(12-8-9)13-4-1-6-14-7-5-13/h2-3,8H,1,4-7H2
InChIKeySPYSBUWXHIIOKH-UHFFFAOYSA-N
XLogP1.96
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloropyrimidin-2-yl)-1,4-oxazepane
CID 134160397
[6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
CID 62988943
4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 166601129
4-(2-chloropyrimidin-4-yl)-1,4-oxazepane
CID 62968346
N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172892243
6-morpholin-4-ylpyridine-3-thiol
CID 123169519
8-(5-chloro-2-pyridinyl)-8-azaspiro[4.5]decane
CID 66233219
6-(1,4-oxazepan-4-yl)pyridine-3-carboximidamide
CID 62973406
4-(5-pyridin-4-yl-2-pyridinyl)morpholine
CID 10377044
N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172891609
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871
5-chloro-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 66233669

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-1,4-oxazepane?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-1,4-oxazepane (CID 66234346) is 4-(5-chloro-2-pyridinyl)-1,4-oxazepane.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-1,4-oxazepane?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-1,4-oxazepane is Clc1ccc(N2CCCOCC2)nc1.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-1,4-oxazepane?
The InChIKey is SPYSBUWXHIIOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-9-2-3-10(12-8-9)13-4-1-6-14-7-5-13/h2-3,8H,1,4-7H2.
What are the key properties of 4-(5-chloro-2-pyridinyl)-1,4-oxazepane?
4-(5-chloro-2-pyridinyl)-1,4-oxazepane has a molecular weight of 212.68 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-1,4-oxazepane is sourced from PubChem (CID 66234346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).