6-chloro-2-(fluoromethoxy)-4-methylpyridine-3-carbaldehyde

C8H7ClFNO2 — CID 167247891

IUPAC6-chloro-2-(fluoromethoxy)-4-methylpyridine-3-carbaldehyde
SMILESCc1cc(Cl)nc(OCF)c1C=O
InChIInChI=1S/C8H7ClFNO2/c1-5-2-7(9)11-8(13-4-10)6(5)3-12/h2-3H,4H2,1H3
InChIKeyJVPIQCSBOAPVDU-UHFFFAOYSA-N
MW203.60 g/mol
LogP2.16
Rot. Bonds3

About 6-chloro-2-(fluoromethoxy)-4-methylpyridine-3-carbaldehyde

6-chloro-2-(fluoromethoxy)-4-methylpyridine-3-carbaldehyde (PubChem CID 167247891) has the molecular formula C8H7ClFNO2 and a molecular weight of 203.60 g/mol. Its IUPAC name is 6-chloro-2-(fluoromethoxy)-4-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-2-(fluoromethoxy)-4-methylpyridine-3-carbaldehyde
PubChem CID167247891
Molecular FormulaC8H7ClFNO2
Molecular Weight203.60 g/mol
Exact Mass203.01
IUPAC Name6-chloro-2-(fluoromethoxy)-4-methylpyridine-3-carbaldehyde
SMILESCc1cc(Cl)nc(OCF)c1C=O
InChIInChI=1S/C8H7ClFNO2/c1-5-2-7(9)11-8(13-4-10)6(5)3-12/h2-3H,4H2,1H3
InChIKeyJVPIQCSBOAPVDU-UHFFFAOYSA-N
XLogP2.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.60
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(fluoromethoxy)-4-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-chloro-2-(fluoromethoxy)-4-methylpyridine-3-carbaldehyde (CID 167247891) is 6-chloro-2-(fluoromethoxy)-4-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-chloro-2-(fluoromethoxy)-4-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-chloro-2-(fluoromethoxy)-4-methylpyridine-3-carbaldehyde is Cc1cc(Cl)nc(OCF)c1C=O.
What is the InChIKey of 6-chloro-2-(fluoromethoxy)-4-methylpyridine-3-carbaldehyde?
The InChIKey is JVPIQCSBOAPVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO2/c1-5-2-7(9)11-8(13-4-10)6(5)3-12/h2-3H,4H2,1H3.
What are the key properties of 6-chloro-2-(fluoromethoxy)-4-methylpyridine-3-carbaldehyde?
6-chloro-2-(fluoromethoxy)-4-methylpyridine-3-carbaldehyde has a molecular weight of 203.60 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(fluoromethoxy)-4-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 167247891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).