4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine

C11H13ClFNO2 — CID 105383749

IUPAC4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine
SMILESFc1c(CCl)ccnc1OCC1CCCO1
InChIInChI=1S/C11H13ClFNO2/c12-6-8-3-4-14-11(10(8)13)16-7-9-2-1-5-15-9/h3-4,9H,1-2,5-7H2
InChIKeyRUGLPYMRPYBUBN-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.52
Rot. Bonds4

About 4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine

4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine (PubChem CID 105383749) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is 4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine
PubChem CID105383749
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine
SMILESFc1c(CCl)ccnc1OCC1CCCO1
InChIInChI=1S/C11H13ClFNO2/c12-6-8-3-4-14-11(10(8)13)16-7-9-2-1-5-15-9/h3-4,9H,1-2,5-7H2
InChIKeyRUGLPYMRPYBUBN-UHFFFAOYSA-N
XLogP2.52
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]oxolane
CID 112613634
5-chloro-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine
CID 79728314
3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine
CID 61258069
2,3-dimethyl-7-(oxolan-2-ylmethoxy)-1H-pyrrolo[2,3-c]pyridine
CID 11565020
N-[[2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291426
methyl 4-methyl-2-(oxolan-2-ylmethoxy)pyridine-3-carboxylate
CID 131992608
2-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]oxolane
CID 63320630
4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine
CID 105383893
3-bromo-5-chloro-2-(oxolan-2-ylmethoxy)pyridine
CID 114837569
N-methyl-1-(oxolan-2-ylmethoxy)isoquinolin-8-amine
CID 82572504
2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869488
2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol
CID 147972497

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine?
The IUPAC name of 4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine (CID 105383749) is 4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine.
What is the SMILES notation for 4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine?
The canonical SMILES for 4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine is Fc1c(CCl)ccnc1OCC1CCCO1.
What is the InChIKey of 4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine?
The InChIKey is RUGLPYMRPYBUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c12-6-8-3-4-14-11(10(8)13)16-7-9-2-1-5-15-9/h3-4,9H,1-2,5-7H2.
What are the key properties of 4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine?
4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine has a molecular weight of 245.68 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine is sourced from PubChem (CID 105383749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).