2-fluoro-5-[2-methyl-6-[3-(methylamino)propoxy]-3-pyridinyl]benzaldehyde

C17H19FN2O2 — CID 144566041

IUPAC2-fluoro-5-[2-methyl-6-[3-(methylamino)propoxy]-3-pyridinyl]benzaldehyde
SMILESCNCCCOc1ccc(-c2ccc(F)c(C=O)c2)c(C)n1
InChIInChI=1S/C17H19FN2O2/c1-12-15(13-4-6-16(18)14(10-13)11-21)5-7-17(20-12)22-9-3-8-19-2/h4-7,10-11,19H,3,8-9H2,1-2H3
InChIKeyKZJWNUYPKMBSGV-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.00
Rot. Bonds7

About 2-fluoro-5-[2-methyl-6-[3-(methylamino)propoxy]-3-pyridinyl]benzaldehyde

2-fluoro-5-[2-methyl-6-[3-(methylamino)propoxy]-3-pyridinyl]benzaldehyde (PubChem CID 144566041) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-fluoro-5-[2-methyl-6-[3-(methylamino)propoxy]-3-pyridinyl]benzaldehyde.

Molecular Properties

Compound Name2-fluoro-5-[2-methyl-6-[3-(methylamino)propoxy]-3-pyridinyl]benzaldehyde
PubChem CID144566041
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name2-fluoro-5-[2-methyl-6-[3-(methylamino)propoxy]-3-pyridinyl]benzaldehyde
SMILESCNCCCOc1ccc(-c2ccc(F)c(C=O)c2)c(C)n1
InChIInChI=1S/C17H19FN2O2/c1-12-15(13-4-6-16(18)14(10-13)11-21)5-7-17(20-12)22-9-3-8-19-2/h4-7,10-11,19H,3,8-9H2,1-2H3
InChIKeyKZJWNUYPKMBSGV-UHFFFAOYSA-N
XLogP3.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dibucaine
CID 3025
N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
CID 11475352
N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridin-2-yl]benzamide
CID 44206579
2-Butoxy-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide
CID 342141
2-Ethoxy-N-(2-(diethylamino)ethyl)-4-quinolinecarboxamide
CID 85772681
2-[[5-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methyl-2-pyridinyl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one
CID 156017745
N-cycloheptyl-2-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 162653908
N-cycloheptyl-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide
CID 162655994
N-cycloheptyl-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide
CID 162671694
N-[2-(diethylamino)ethyl]-2-propoxyquinoline-4-carboxamide
CID 85772684
N-[2-(diethylamino)ethyl]-2-pentoxyquinoline-4-carboxamide
CID 85772685
N-[2-(dimethylamino)ethyl]-2-ethoxyquinoline-4-carboxamide
CID 85955054

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-methyl-6-[3-(methylamino)propoxy]-3-pyridinyl]benzaldehyde?
The IUPAC name of 2-fluoro-5-[2-methyl-6-[3-(methylamino)propoxy]-3-pyridinyl]benzaldehyde (CID 144566041) is 2-fluoro-5-[2-methyl-6-[3-(methylamino)propoxy]-3-pyridinyl]benzaldehyde.
What is the SMILES notation for 2-fluoro-5-[2-methyl-6-[3-(methylamino)propoxy]-3-pyridinyl]benzaldehyde?
The canonical SMILES for 2-fluoro-5-[2-methyl-6-[3-(methylamino)propoxy]-3-pyridinyl]benzaldehyde is CNCCCOc1ccc(-c2ccc(F)c(C=O)c2)c(C)n1.
What is the InChIKey of 2-fluoro-5-[2-methyl-6-[3-(methylamino)propoxy]-3-pyridinyl]benzaldehyde?
The InChIKey is KZJWNUYPKMBSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-12-15(13-4-6-16(18)14(10-13)11-21)5-7-17(20-12)22-9-3-8-19-2/h4-7,10-11,19H,3,8-9H2,1-2H3.
What are the key properties of 2-fluoro-5-[2-methyl-6-[3-(methylamino)propoxy]-3-pyridinyl]benzaldehyde?
2-fluoro-5-[2-methyl-6-[3-(methylamino)propoxy]-3-pyridinyl]benzaldehyde has a molecular weight of 302.35 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-methyl-6-[3-(methylamino)propoxy]-3-pyridinyl]benzaldehyde is sourced from PubChem (CID 144566041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).