ethane;4-(2-fluoro-3-methylphenyl)pyridine-2-carbaldehyde;N-methylmethanamine

C17H23FN2O — CID 178155038

IUPACethane;4-(2-fluoro-3-methylphenyl)pyridine-2-carbaldehyde;N-methylmethanamine
SMILESCC.CNC.Cc1cccc(-c2ccnc(C=O)c2)c1F
InChIInChI=1S/C13H10FNO.C2H7N.C2H6/c1-9-3-2-4-12(13(9)14)10-5-6-15-11(7-10)8-16;1-3-2;1-2/h2-8H,1H3;3H,1-2H3;1-2H3
InChIKeyPPSAKOCQWORGKA-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.87
Rot. Bonds2

About ethane;4-(2-fluoro-3-methylphenyl)pyridine-2-carbaldehyde;N-methylmethanamine

ethane;4-(2-fluoro-3-methylphenyl)pyridine-2-carbaldehyde;N-methylmethanamine (PubChem CID 178155038) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is ethane;4-(2-fluoro-3-methylphenyl)pyridine-2-carbaldehyde;N-methylmethanamine.

Molecular Properties

Compound Nameethane;4-(2-fluoro-3-methylphenyl)pyridine-2-carbaldehyde;N-methylmethanamine
PubChem CID178155038
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Nameethane;4-(2-fluoro-3-methylphenyl)pyridine-2-carbaldehyde;N-methylmethanamine
SMILESCC.CNC.Cc1cccc(-c2ccnc(C=O)c2)c1F
InChIInChI=1S/C13H10FNO.C2H7N.C2H6/c1-9-3-2-4-12(13(9)14)10-5-6-15-11(7-10)8-16;1-3-2;1-2/h2-8H,1H3;3H,1-2H3;1-2H3
InChIKeyPPSAKOCQWORGKA-UHFFFAOYSA-N
XLogP3.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.87
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

4-(2-formyl-4-pyridinyl)pyridine-2-carbaldehyde
CID 22625289
4-(2-fluoro-3-methylphenyl)-2-methoxypyridine
CID 178155180
2-fluoro-1-(3-fluorophenyl)-3-methylbenzene
CID 46313946
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876946
2-fluoro-6-(3-methyl-2-pyridinyl)benzaldehyde
CID 172968774
2-methyl-3-(2-methyl-4-pyridinyl)benzaldehyde
CID 172651416
2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde
CID 146405666
methyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate
CID 134638044
2,6-dichloro-4-(2-fluoro-3-methylphenyl)pyridine
CID 125484786
2-(2-fluoro-3-methylphenyl)naphthalene
CID 167454716
4-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridine-2-carbaldehyde
CID 87399261
5-(2-fluoro-3-methylphenyl)-2-[(E)-1-fluoroprop-1-enyl]-3-methylpyridine
CID 146292628

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-fluoro-3-methylphenyl)pyridine-2-carbaldehyde;N-methylmethanamine?
The IUPAC name of ethane;4-(2-fluoro-3-methylphenyl)pyridine-2-carbaldehyde;N-methylmethanamine (CID 178155038) is ethane;4-(2-fluoro-3-methylphenyl)pyridine-2-carbaldehyde;N-methylmethanamine.
What is the SMILES notation for ethane;4-(2-fluoro-3-methylphenyl)pyridine-2-carbaldehyde;N-methylmethanamine?
The canonical SMILES for ethane;4-(2-fluoro-3-methylphenyl)pyridine-2-carbaldehyde;N-methylmethanamine is CC.CNC.Cc1cccc(-c2ccnc(C=O)c2)c1F.
What is the InChIKey of ethane;4-(2-fluoro-3-methylphenyl)pyridine-2-carbaldehyde;N-methylmethanamine?
The InChIKey is PPSAKOCQWORGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO.C2H7N.C2H6/c1-9-3-2-4-12(13(9)14)10-5-6-15-11(7-10)8-16;1-3-2;1-2/h2-8H,1H3;3H,1-2H3;1-2H3.
What are the key properties of ethane;4-(2-fluoro-3-methylphenyl)pyridine-2-carbaldehyde;N-methylmethanamine?
ethane;4-(2-fluoro-3-methylphenyl)pyridine-2-carbaldehyde;N-methylmethanamine has a molecular weight of 290.38 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-fluoro-3-methylphenyl)pyridine-2-carbaldehyde;N-methylmethanamine is sourced from PubChem (CID 178155038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).