4-fluoro-3-[[2-(4-methyl-1H-pyrrol-2-yl)-4-pyridinyl]oxy]benzaldehyde

C17H13FN2O2 — CID 144842311

IUPAC4-fluoro-3-[[2-(4-methyl-1H-pyrrol-2-yl)-4-pyridinyl]oxy]benzaldehyde
SMILESCc1c[nH]c(-c2cc(Oc3cc(C=O)ccc3F)ccn2)c1
InChIInChI=1S/C17H13FN2O2/c1-11-6-15(20-9-11)16-8-13(4-5-19-16)22-17-7-12(10-21)2-3-14(17)18/h2-10,20H,1H3
InChIKeyTZAZEUVLQCJPFU-UHFFFAOYSA-N
MW296.30 g/mol
LogP4.13
Rot. Bonds4

About 4-fluoro-3-[[2-(4-methyl-1H-pyrrol-2-yl)-4-pyridinyl]oxy]benzaldehyde

4-fluoro-3-[[2-(4-methyl-1H-pyrrol-2-yl)-4-pyridinyl]oxy]benzaldehyde (PubChem CID 144842311) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-fluoro-3-[[2-(4-methyl-1H-pyrrol-2-yl)-4-pyridinyl]oxy]benzaldehyde.

Molecular Properties

Compound Name4-fluoro-3-[[2-(4-methyl-1H-pyrrol-2-yl)-4-pyridinyl]oxy]benzaldehyde
PubChem CID144842311
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name4-fluoro-3-[[2-(4-methyl-1H-pyrrol-2-yl)-4-pyridinyl]oxy]benzaldehyde
SMILESCc1c[nH]c(-c2cc(Oc3cc(C=O)ccc3F)ccn2)c1
InChIInChI=1S/C17H13FN2O2/c1-11-6-15(20-9-11)16-8-13(4-5-19-16)22-17-7-12(10-21)2-3-14(17)18/h2-10,20H,1H3
InChIKeyTZAZEUVLQCJPFU-UHFFFAOYSA-N
XLogP4.13
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 54.13
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-[4-[4-(2-fluoro-5-methylanilino)phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbaldehyde
CID 144842293
5-[4-[2-fluoro-5-[(3-methylphenyl)carbamoyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid
CID 71293547
2-[[5-[4-[2-fluoro-5-[2-(2-fluoro-5-methylphenyl)acetyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]acetic acid
CID 58167831
4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde
CID 13368776
3-[[5-[4-[2-fluoro-5-[2-(3-methylphenyl)acetyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]propanoic acid
CID 147636637
methyl 3-[[5-[4-[2-fluoro-5-[2-(3-methylphenyl)acetyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]propanoate
CID 147402819
methyl 2-[2-[[5-[4-[2-fluoro-5-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 71293510
tert-butyl-[2-[[5-[4-[2-fluoro-5-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]ethyl]carbamic acid
CID 71541784
2-(4-oxo-1H-pyridin-2-yl)pyridine-4-carbaldehyde
CID 166725655
(2S)-N,N'-diethyl-2-[[5-[4-[2-fluoro-5-[2-(2-fluoro-5-methylphenyl)acetyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]pentanediamide
CID 146858956
5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(4-oxobutyl)-1H-pyrrole-3-carboxamide
CID 158489495
4-fluoro-3-(methoxymethoxy)benzaldehyde
CID 23143885

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[2-(4-methyl-1H-pyrrol-2-yl)-4-pyridinyl]oxy]benzaldehyde?
The IUPAC name of 4-fluoro-3-[[2-(4-methyl-1H-pyrrol-2-yl)-4-pyridinyl]oxy]benzaldehyde (CID 144842311) is 4-fluoro-3-[[2-(4-methyl-1H-pyrrol-2-yl)-4-pyridinyl]oxy]benzaldehyde.
What is the SMILES notation for 4-fluoro-3-[[2-(4-methyl-1H-pyrrol-2-yl)-4-pyridinyl]oxy]benzaldehyde?
The canonical SMILES for 4-fluoro-3-[[2-(4-methyl-1H-pyrrol-2-yl)-4-pyridinyl]oxy]benzaldehyde is Cc1c[nH]c(-c2cc(Oc3cc(C=O)ccc3F)ccn2)c1.
What is the InChIKey of 4-fluoro-3-[[2-(4-methyl-1H-pyrrol-2-yl)-4-pyridinyl]oxy]benzaldehyde?
The InChIKey is TZAZEUVLQCJPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-11-6-15(20-9-11)16-8-13(4-5-19-16)22-17-7-12(10-21)2-3-14(17)18/h2-10,20H,1H3.
What are the key properties of 4-fluoro-3-[[2-(4-methyl-1H-pyrrol-2-yl)-4-pyridinyl]oxy]benzaldehyde?
4-fluoro-3-[[2-(4-methyl-1H-pyrrol-2-yl)-4-pyridinyl]oxy]benzaldehyde has a molecular weight of 296.30 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[2-(4-methyl-1H-pyrrol-2-yl)-4-pyridinyl]oxy]benzaldehyde is sourced from PubChem (CID 144842311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).