BAWLMYKAQOAALM-UHFFFAOYSA-N

C₇H₇ClFNO — CID 86626262

About BAWLMYKAQOAALM-UHFFFAOYSA-N

BAWLMYKAQOAALM-UHFFFAOYSA-N (PubChem CID 86626262) has the molecular formula C₇H₇ClFNO and a molecular weight of 175.59 g/mol. Its IUPAC name is 2-chloro-5-fluoro-3-(methoxymethyl)pyridine.

Molecular Properties

• Compound Name: BAWLMYKAQOAALM-UHFFFAOYSA-N
• PubChem CID: 86626262
• Molecular Formula: C₇H₇ClFNO
• Molecular Weight: 175.59 g/mol
• Exact Mass: 175.02
• IUPAC Name: 2-chloro-5-fluoro-3-(methoxymethyl)pyridine
• SMILES: COCc1cc(F)cnc1Cl
• InChI: InChI=1S/C7H7ClFNO/c1-11-4-5-2-6(9)3-10-7(5)8/h2-3H,4H2,1H3
• InChIKey: BAWLMYKAQOAALM-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 22.12 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	175.59
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of BAWLMYKAQOAALM-UHFFFAOYSA-N?

The IUPAC name of BAWLMYKAQOAALM-UHFFFAOYSA-N (CID 86626262) is 2-chloro-5-fluoro-3-(methoxymethyl)pyridine.

What is the SMILES notation for BAWLMYKAQOAALM-UHFFFAOYSA-N?

The canonical SMILES for BAWLMYKAQOAALM-UHFFFAOYSA-N is COCc1cc(F)cnc1Cl.

What is the InChIKey of BAWLMYKAQOAALM-UHFFFAOYSA-N?

The InChIKey is BAWLMYKAQOAALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO/c1-11-4-5-2-6(9)3-10-7(5)8/h2-3H,4H2,1H3.

What are the key properties of BAWLMYKAQOAALM-UHFFFAOYSA-N?

BAWLMYKAQOAALM-UHFFFAOYSA-N 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 BAWLMYKAQOAALM-UHFFFAOYSA-N is sourced from PubChem (CID 86626262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 86626262 — identifiers, structure, computed properties (public domain)

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