6-[difluoro(phosphanyl)methyl]-4-methylpyridine-3-carbaldehyde

C8H8F2NOP — CID 154670408

IUPAC6-[difluoro(phosphanyl)methyl]-4-methylpyridine-3-carbaldehyde
SMILESCc1cc(C(F)(F)P)ncc1C=O
InChIInChI=1S/C8H8F2NOP/c1-5-2-7(8(9,10)13)11-3-6(5)4-12/h2-4H,13H2,1H3
InChIKeyJQLLYIAYEFKXFF-UHFFFAOYSA-N
MW203.13 g/mol
LogP2.13
Rot. Bonds2

About 6-[difluoro(phosphanyl)methyl]-4-methylpyridine-3-carbaldehyde

6-[difluoro(phosphanyl)methyl]-4-methylpyridine-3-carbaldehyde (PubChem CID 154670408) has the molecular formula C8H8F2NOP and a molecular weight of 203.13 g/mol. Its IUPAC name is 6-[difluoro(phosphanyl)methyl]-4-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[difluoro(phosphanyl)methyl]-4-methylpyridine-3-carbaldehyde
PubChem CID154670408
Molecular FormulaC8H8F2NOP
Molecular Weight203.13 g/mol
Exact Mass203.03
IUPAC Name6-[difluoro(phosphanyl)methyl]-4-methylpyridine-3-carbaldehyde
SMILESCc1cc(C(F)(F)P)ncc1C=O
InChIInChI=1S/C8H8F2NOP/c1-5-2-7(8(9,10)13)11-3-6(5)4-12/h2-4H,13H2,1H3
InChIKeyJQLLYIAYEFKXFF-UHFFFAOYSA-N
XLogP2.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.13
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[difluoro(phosphanyl)methyl]-4-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-[difluoro(phosphanyl)methyl]-4-methylpyridine-3-carbaldehyde (CID 154670408) is 6-[difluoro(phosphanyl)methyl]-4-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-[difluoro(phosphanyl)methyl]-4-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-[difluoro(phosphanyl)methyl]-4-methylpyridine-3-carbaldehyde is Cc1cc(C(F)(F)P)ncc1C=O.
What is the InChIKey of 6-[difluoro(phosphanyl)methyl]-4-methylpyridine-3-carbaldehyde?
The InChIKey is JQLLYIAYEFKXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2NOP/c1-5-2-7(8(9,10)13)11-3-6(5)4-12/h2-4H,13H2,1H3.
What are the key properties of 6-[difluoro(phosphanyl)methyl]-4-methylpyridine-3-carbaldehyde?
6-[difluoro(phosphanyl)methyl]-4-methylpyridine-3-carbaldehyde has a molecular weight of 203.13 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[difluoro(phosphanyl)methyl]-4-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 154670408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).