2-chloro-5-(heptoxymethyl)pyridine

C13H20ClNO — CID 43128041

IUPAC2-chloro-5-(heptoxymethyl)pyridine
SMILESCCCCCCCOCc1ccc(Cl)nc1
InChIInChI=1S/C13H20ClNO/c1-2-3-4-5-6-9-16-11-12-7-8-13(14)15-10-12/h7-8,10H,2-6,9,11H2,1H3
InChIKeyWMOCPUUMBOQUHX-UHFFFAOYSA-N
MW241.76 g/mol
LogP4.22
Rot. Bonds8

About 2-chloro-5-(heptoxymethyl)pyridine

2-chloro-5-(heptoxymethyl)pyridine (PubChem CID 43128041) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-chloro-5-(heptoxymethyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(heptoxymethyl)pyridine
PubChem CID43128041
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-chloro-5-(heptoxymethyl)pyridine
SMILESCCCCCCCOCc1ccc(Cl)nc1
InChIInChI=1S/C13H20ClNO/c1-2-3-4-5-6-9-16-11-12-7-8-13(14)15-10-12/h7-8,10H,2-6,9,11H2,1H3
InChIKeyWMOCPUUMBOQUHX-UHFFFAOYSA-N
XLogP4.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-4-(dodecoxymethyl)benzene
CID 71367802
5-(butoxymethyl)pyridin-2-amine
CID 62195711
5-[(4-butylphenoxy)methyl]-2-chloropyridine
CID 113322669
1-methyl-4-(octoxymethyl)benzene
CID 86156710
4-(hexoxymethyl)phenol
CID 14816980
[4-(heptoxymethyl)phenyl]-trimethylsilane
CID 103438642
2-chloro-5-(methoxymethyl)pyridine
CID 19010921
2,6-dichloro-3-(octoxymethyl)pyridine
CID 106994491
4-(dodecoxymethyl)pyridine
CID 175554630
[5-(butoxymethyl)-2-pyridinyl]hydrazine
CID 62245667
2-chloro-5-[2-(4-pentoxyphenyl)ethynyl]pyridine
CID 19765873
1-methoxy-4-(octoxymethyl)benzene
CID 11288168

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(heptoxymethyl)pyridine?
The IUPAC name of 2-chloro-5-(heptoxymethyl)pyridine (CID 43128041) is 2-chloro-5-(heptoxymethyl)pyridine.
What is the SMILES notation for 2-chloro-5-(heptoxymethyl)pyridine?
The canonical SMILES for 2-chloro-5-(heptoxymethyl)pyridine is CCCCCCCOCc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-(heptoxymethyl)pyridine?
The InChIKey is WMOCPUUMBOQUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-2-3-4-5-6-9-16-11-12-7-8-13(14)15-10-12/h7-8,10H,2-6,9,11H2,1H3.
What are the key properties of 2-chloro-5-(heptoxymethyl)pyridine?
2-chloro-5-(heptoxymethyl)pyridine has a molecular weight of 241.76 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(heptoxymethyl)pyridine is sourced from PubChem (CID 43128041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).