5-fluoropyridine-3-carbaldehyde;1-(5-fluoro-3-pyridinyl)-N-methylmethanamine;methane

C14H17F2N3O — CID 158330652

IUPAC5-fluoropyridine-3-carbaldehyde;1-(5-fluoro-3-pyridinyl)-N-methylmethanamine;methane
SMILESC.CNCc1cncc(F)c1.O=Cc1cncc(F)c1
InChIInChI=1S/C7H9FN2.C6H4FNO.CH4/c1-9-3-6-2-7(8)5-10-4-6;7-6-1-5(4-9)2-8-3-6;/h2,4-5,9H,3H2,1H3;1-4H;1H4
InChIKeyGPYSOHLKXLURPR-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.61
Rot. Bonds3

About 5-fluoropyridine-3-carbaldehyde;1-(5-fluoro-3-pyridinyl)-N-methylmethanamine;methane

5-fluoropyridine-3-carbaldehyde;1-(5-fluoro-3-pyridinyl)-N-methylmethanamine;methane (PubChem CID 158330652) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-fluoropyridine-3-carbaldehyde;1-(5-fluoro-3-pyridinyl)-N-methylmethanamine;methane.

Molecular Properties

Compound Name5-fluoropyridine-3-carbaldehyde;1-(5-fluoro-3-pyridinyl)-N-methylmethanamine;methane
PubChem CID158330652
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name5-fluoropyridine-3-carbaldehyde;1-(5-fluoro-3-pyridinyl)-N-methylmethanamine;methane
SMILESC.CNCc1cncc(F)c1.O=Cc1cncc(F)c1
InChIInChI=1S/C7H9FN2.C6H4FNO.CH4/c1-9-3-6-2-7(8)5-10-4-6;7-6-1-5(4-9)2-8-3-6;/h2,4-5,9H,3H2,1H3;1-4H;1H4
InChIKeyGPYSOHLKXLURPR-UHFFFAOYSA-N
XLogP2.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde
CID 134293937
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
N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide
CID 104953358
N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine
CID 104953752
1-[3-[(5-fluoro-3-pyridinyl)methylsulfanyl]phenyl]-N-methylmethanamine
CID 114084753
1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 113469602
3-[(5-fluoro-3-pyridinyl)methylamino]propanamide
CID 104953901
1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 104953648
trans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine
CID 131008593
1-[5-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylmethanamine
CID 113469674

Frequently Asked Questions

What is the IUPAC name of 5-fluoropyridine-3-carbaldehyde;1-(5-fluoro-3-pyridinyl)-N-methylmethanamine;methane?
The IUPAC name of 5-fluoropyridine-3-carbaldehyde;1-(5-fluoro-3-pyridinyl)-N-methylmethanamine;methane (CID 158330652) is 5-fluoropyridine-3-carbaldehyde;1-(5-fluoro-3-pyridinyl)-N-methylmethanamine;methane.
What is the SMILES notation for 5-fluoropyridine-3-carbaldehyde;1-(5-fluoro-3-pyridinyl)-N-methylmethanamine;methane?
The canonical SMILES for 5-fluoropyridine-3-carbaldehyde;1-(5-fluoro-3-pyridinyl)-N-methylmethanamine;methane is C.CNCc1cncc(F)c1.O=Cc1cncc(F)c1.
What is the InChIKey of 5-fluoropyridine-3-carbaldehyde;1-(5-fluoro-3-pyridinyl)-N-methylmethanamine;methane?
The InChIKey is GPYSOHLKXLURPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2.C6H4FNO.CH4/c1-9-3-6-2-7(8)5-10-4-6;7-6-1-5(4-9)2-8-3-6;/h2,4-5,9H,3H2,1H3;1-4H;1H4.
What are the key properties of 5-fluoropyridine-3-carbaldehyde;1-(5-fluoro-3-pyridinyl)-N-methylmethanamine;methane?
5-fluoropyridine-3-carbaldehyde;1-(5-fluoro-3-pyridinyl)-N-methylmethanamine;methane has a molecular weight of 281.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropyridine-3-carbaldehyde;1-(5-fluoro-3-pyridinyl)-N-methylmethanamine;methane is sourced from PubChem (CID 158330652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).