3-fluoro-5-methyl-2-(pyridin-4-ylmethylamino)benzaldehyde

C14H13FN2O — CID 145492175

IUPAC3-fluoro-5-methyl-2-(pyridin-4-ylmethylamino)benzaldehyde
SMILESCc1cc(F)c(NCc2ccncc2)c(C=O)c1
InChIInChI=1S/C14H13FN2O/c1-10-6-12(9-18)14(13(15)7-10)17-8-11-2-4-16-5-3-11/h2-7,9,17H,8H2,1H3
InChIKeyKHRPOPWIJMJLNA-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.95
Rot. Bonds4

About 3-fluoro-5-methyl-2-(pyridin-4-ylmethylamino)benzaldehyde

3-fluoro-5-methyl-2-(pyridin-4-ylmethylamino)benzaldehyde (PubChem CID 145492175) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 3-fluoro-5-methyl-2-(pyridin-4-ylmethylamino)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-5-methyl-2-(pyridin-4-ylmethylamino)benzaldehyde
PubChem CID145492175
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name3-fluoro-5-methyl-2-(pyridin-4-ylmethylamino)benzaldehyde
SMILESCc1cc(F)c(NCc2ccncc2)c(C=O)c1
InChIInChI=1S/C14H13FN2O/c1-10-6-12(9-18)14(13(15)7-10)17-8-11-2-4-16-5-3-11/h2-7,9,17H,8H2,1H3
InChIKeyKHRPOPWIJMJLNA-UHFFFAOYSA-N
XLogP2.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.95
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-(benzylamino)-2,5-difluoro-3-methoxybenzaldehyde
CID 176960016
3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline
CID 104938204
3-(methylamino)-4-(pyridin-4-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 134333721
4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline
CID 792097
2-(3-fluoro-4-pyridinyl)-5-methylbenzaldehyde
CID 121367745
4-(2-fluoro-4-methylphenyl)pyridine-3-carbaldehyde
CID 121367744
2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline
CID 115904322
N-(2,6-difluoro-4-methylphenyl)formamide
CID 144501895
2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide
CID 43673750
ethane;2-fluoro-5-methylbenzaldehyde
CID 144639073
N-(2,6-difluorophenyl)-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109371322
2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline
CID 43168289

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-2-(pyridin-4-ylmethylamino)benzaldehyde?
The IUPAC name of 3-fluoro-5-methyl-2-(pyridin-4-ylmethylamino)benzaldehyde (CID 145492175) is 3-fluoro-5-methyl-2-(pyridin-4-ylmethylamino)benzaldehyde.
What is the SMILES notation for 3-fluoro-5-methyl-2-(pyridin-4-ylmethylamino)benzaldehyde?
The canonical SMILES for 3-fluoro-5-methyl-2-(pyridin-4-ylmethylamino)benzaldehyde is Cc1cc(F)c(NCc2ccncc2)c(C=O)c1.
What is the InChIKey of 3-fluoro-5-methyl-2-(pyridin-4-ylmethylamino)benzaldehyde?
The InChIKey is KHRPOPWIJMJLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-10-6-12(9-18)14(13(15)7-10)17-8-11-2-4-16-5-3-11/h2-7,9,17H,8H2,1H3.
What are the key properties of 3-fluoro-5-methyl-2-(pyridin-4-ylmethylamino)benzaldehyde?
3-fluoro-5-methyl-2-(pyridin-4-ylmethylamino)benzaldehyde has a molecular weight of 244.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-2-(pyridin-4-ylmethylamino)benzaldehyde is sourced from PubChem (CID 145492175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).