3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde

C14H13FN2O — CID 43565130

IUPAC3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde
SMILESCN(Cc1ccccn1)c1ccc(C=O)cc1F
InChIInChI=1S/C14H13FN2O/c1-17(9-12-4-2-3-7-16-12)14-6-5-11(10-18)8-13(14)15/h2-8,10H,9H2,1H3
InChIKeyPNPJHVSUZRAMOR-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.67
Rot. Bonds4

About 3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde

3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde (PubChem CID 43565130) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde
PubChem CID43565130
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde
SMILESCN(Cc1ccccn1)c1ccc(C=O)cc1F
InChIInChI=1S/C14H13FN2O/c1-17(9-12-4-2-3-7-16-12)14-6-5-11(10-18)8-13(14)15/h2-8,10H,9H2,1H3
InChIKeyPNPJHVSUZRAMOR-UHFFFAOYSA-N
XLogP2.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 107080376
2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565230
5-fluoro-2-[methyl(pyridin-2-ylmethyl)amino]benzonitrile
CID 55233709
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
[3,5-difluoro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol
CID 63075487
4-fluoro-N-methyl-2-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565214
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbaldehyde
CID 80632829
5-fluoro-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328236
4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 114061506
3-fluoro-4-[2-methylpropyl(propan-2-yl)amino]benzaldehyde
CID 54999827

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde?
The IUPAC name of 3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde (CID 43565130) is 3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde.
What is the SMILES notation for 3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde?
The canonical SMILES for 3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde is CN(Cc1ccccn1)c1ccc(C=O)cc1F.
What is the InChIKey of 3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde?
The InChIKey is PNPJHVSUZRAMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-17(9-12-4-2-3-7-16-12)14-6-5-11(10-18)8-13(14)15/h2-8,10H,9H2,1H3.
What are the key properties of 3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde?
3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde has a molecular weight of 244.27 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde is sourced from PubChem (CID 43565130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).