4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde

C14H13FN2O — CID 134293937

IUPAC4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde
SMILESO=Cc1ccc(CNCc2cncc(F)c2)cc1
InChIInChI=1S/C14H13FN2O/c15-14-5-13(8-17-9-14)7-16-6-11-1-3-12(10-18)4-2-11/h1-5,8-10,16H,6-7H2
InChIKeyGGKROVKAHDNMMV-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.32
Rot. Bonds5

About 4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde

4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde (PubChem CID 134293937) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde.

Molecular Properties

Compound Name4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde
PubChem CID134293937
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde
SMILESO=Cc1ccc(CNCc2cncc(F)c2)cc1
InChIInChI=1S/C14H13FN2O/c15-14-5-13(8-17-9-14)7-16-6-11-1-3-12(10-18)4-2-11/h1-5,8-10,16H,6-7H2
InChIKeyGGKROVKAHDNMMV-UHFFFAOYSA-N
XLogP2.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.32
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

5-fluoropyridine-3-carbaldehyde;1-(5-fluoro-3-pyridinyl)-N-methylmethanamine;methane
CID 158330652
N-[(5-fluoro-3-pyridinyl)methyl]-2-methylsulfinylethanamine
CID 104953724
N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine
CID 103527914
1-N-[(5-fluoro-3-pyridinyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 104953350
3-[(5-fluoro-3-pyridinyl)methylamino]propanamide
CID 104953901
1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62759131
N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide
CID 104953358
1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 104953648
N-[(4-bromothiophen-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine
CID 104953472
N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine
CID 104953752
4-(ethylaminomethyl)benzaldehyde
CID 87956656
2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol
CID 104953775

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde?
The IUPAC name of 4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde (CID 134293937) is 4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde.
What is the SMILES notation for 4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde?
The canonical SMILES for 4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde is O=Cc1ccc(CNCc2cncc(F)c2)cc1.
What is the InChIKey of 4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde?
The InChIKey is GGKROVKAHDNMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-14-5-13(8-17-9-14)7-16-6-11-1-3-12(10-18)4-2-11/h1-5,8-10,16H,6-7H2.
What are the key properties of 4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde?
4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde has a molecular weight of 244.27 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde is sourced from PubChem (CID 134293937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).