2-chloro-5-fluoro-4-(methoxymethyl)pyridine

C7H7ClFNO — CID 135319701

IUPAC2-chloro-5-fluoro-4-(methoxymethyl)pyridine
SMILESCOCc1cc(Cl)ncc1F
InChIInChI=1S/C7H7ClFNO/c1-11-4-5-2-7(8)10-3-6(5)9/h2-3H,4H2,1H3
InChIKeyBHTDIRZYACCLOR-UHFFFAOYSA-N
MW175.59 g/mol
LogP2.02
Rot. Bonds2

About 2-chloro-5-fluoro-4-(methoxymethyl)pyridine

2-chloro-5-fluoro-4-(methoxymethyl)pyridine (PubChem CID 135319701) has the molecular formula C7H7ClFNO and a molecular weight of 175.59 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(methoxymethyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(methoxymethyl)pyridine
PubChem CID135319701
Molecular FormulaC7H7ClFNO
Molecular Weight175.59 g/mol
Exact Mass175.02
IUPAC Name2-chloro-5-fluoro-4-(methoxymethyl)pyridine
SMILESCOCc1cc(Cl)ncc1F
InChIInChI=1S/C7H7ClFNO/c1-11-4-5-2-7(8)10-3-6(5)9/h2-3H,4H2,1H3
InChIKeyBHTDIRZYACCLOR-UHFFFAOYSA-N
XLogP2.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.59
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(methoxymethyl)pyridine?
The IUPAC name of 2-chloro-5-fluoro-4-(methoxymethyl)pyridine (CID 135319701) is 2-chloro-5-fluoro-4-(methoxymethyl)pyridine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(methoxymethyl)pyridine?
The canonical SMILES for 2-chloro-5-fluoro-4-(methoxymethyl)pyridine is COCc1cc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-(methoxymethyl)pyridine?
The InChIKey is BHTDIRZYACCLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO/c1-11-4-5-2-7(8)10-3-6(5)9/h2-3H,4H2,1H3.
What are the key properties of 2-chloro-5-fluoro-4-(methoxymethyl)pyridine?
2-chloro-5-fluoro-4-(methoxymethyl)pyridine has a molecular weight of 175.59 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(methoxymethyl)pyridine is sourced from PubChem (CID 135319701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).