2-(2-cyclopropyl-6-methyl-4-pyridinyl)-5-fluorobenzaldehyde;3-fluoroazetidine

C19H20F2N2O — CID 172580927

IUPAC2-(2-cyclopropyl-6-methyl-4-pyridinyl)-5-fluorobenzaldehyde;3-fluoroazetidine
SMILESCc1cc(-c2ccc(F)cc2C=O)cc(C2CC2)n1.FC1CNC1
InChIInChI=1S/C16H14FNO.C3H6FN/c1-10-6-12(8-16(18-10)11-2-3-11)15-5-4-14(17)7-13(15)9-19;4-3-1-5-2-3/h4-9,11H,2-3H2,1H3;3,5H,1-2H2
InChIKeyLXHKMAWAFMHFKU-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.81
Rot. Bonds3

About 2-(2-cyclopropyl-6-methyl-4-pyridinyl)-5-fluorobenzaldehyde;3-fluoroazetidine

2-(2-cyclopropyl-6-methyl-4-pyridinyl)-5-fluorobenzaldehyde;3-fluoroazetidine (PubChem CID 172580927) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-(2-cyclopropyl-6-methyl-4-pyridinyl)-5-fluorobenzaldehyde;3-fluoroazetidine.

Molecular Properties

Compound Name2-(2-cyclopropyl-6-methyl-4-pyridinyl)-5-fluorobenzaldehyde;3-fluoroazetidine
PubChem CID172580927
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name2-(2-cyclopropyl-6-methyl-4-pyridinyl)-5-fluorobenzaldehyde;3-fluoroazetidine
SMILESCc1cc(-c2ccc(F)cc2C=O)cc(C2CC2)n1.FC1CNC1
InChIInChI=1S/C16H14FNO.C3H6FN/c1-10-6-12(8-16(18-10)11-2-3-11)15-5-4-14(17)7-13(15)9-19;4-3-1-5-2-3/h4-9,11H,2-3H2,1H3;3,5H,1-2H2
InChIKeyLXHKMAWAFMHFKU-UHFFFAOYSA-N
XLogP3.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-6-methylpyridine
CID 123665063
2-(4-cyclobutylphenyl)-5-fluorobenzaldehyde
CID 114077830
1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-3-methylbutan-1-one
CID 110091965
5-fluoro-2-(4-methyl-2-pyridinyl)benzaldehyde
CID 141304242
4-[2-(2-chloro-6-cyclopropyl-4-pyridinyl)-5-fluorophenyl]-5-methylpyrimidine
CID 172608829
5-fluoro-2-pyrrolidin-3-ylbenzaldehyde
CID 117283556
8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 142427007
2-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-6-fluoro-7-methyl-1,3-benzoxazole-5-carbaldehyde
CID 166556702
2-(1,3-dihydro-2-benzofuran-5-yl)-5-fluorobenzaldehyde
CID 114078436
4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine
CID 19874092
2-(3,4-dimethoxyphenyl)-1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 110091968
2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine
CID 172608605

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-6-methyl-4-pyridinyl)-5-fluorobenzaldehyde;3-fluoroazetidine?
The IUPAC name of 2-(2-cyclopropyl-6-methyl-4-pyridinyl)-5-fluorobenzaldehyde;3-fluoroazetidine (CID 172580927) is 2-(2-cyclopropyl-6-methyl-4-pyridinyl)-5-fluorobenzaldehyde;3-fluoroazetidine.
What is the SMILES notation for 2-(2-cyclopropyl-6-methyl-4-pyridinyl)-5-fluorobenzaldehyde;3-fluoroazetidine?
The canonical SMILES for 2-(2-cyclopropyl-6-methyl-4-pyridinyl)-5-fluorobenzaldehyde;3-fluoroazetidine is Cc1cc(-c2ccc(F)cc2C=O)cc(C2CC2)n1.FC1CNC1.
What is the InChIKey of 2-(2-cyclopropyl-6-methyl-4-pyridinyl)-5-fluorobenzaldehyde;3-fluoroazetidine?
The InChIKey is LXHKMAWAFMHFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO.C3H6FN/c1-10-6-12(8-16(18-10)11-2-3-11)15-5-4-14(17)7-13(15)9-19;4-3-1-5-2-3/h4-9,11H,2-3H2,1H3;3,5H,1-2H2.
What are the key properties of 2-(2-cyclopropyl-6-methyl-4-pyridinyl)-5-fluorobenzaldehyde;3-fluoroazetidine?
2-(2-cyclopropyl-6-methyl-4-pyridinyl)-5-fluorobenzaldehyde;3-fluoroazetidine has a molecular weight of 330.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-6-methyl-4-pyridinyl)-5-fluorobenzaldehyde;3-fluoroazetidine is sourced from PubChem (CID 172580927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).