7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid

C18H16FNO3 — CID 122574086

IUPAC7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid
SMILESCCC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)O)oc12
InChIInChI=1S/C18H16FNO3/c1-3-10(2)13-8-14(11-4-6-12(19)7-5-11)20-15-9-16(18(21)22)23-17(13)15/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyYXCUBTFHHQZPND-UHFFFAOYSA-N
MW313.33 g/mol
LogP4.85
Rot. Bonds4

About 7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid

7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 122574086) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is 7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid
PubChem CID122574086
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid
SMILESCCC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)O)oc12
InChIInChI=1S/C18H16FNO3/c1-3-10(2)13-8-14(11-4-6-12(19)7-5-11)20-15-9-16(18(21)22)23-17(13)15/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyYXCUBTFHHQZPND-UHFFFAOYSA-N
XLogP4.85
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid
CID 122573995
1-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one
CID 142311055
2-ethyl-1-[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxybutan-1-one
CID 134296539
(2,2-difluorocyclopropyl)-[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone
CID 134296542
tert-butyl (2S)-4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylate
CID 134296926
tert-butyl (3S)-4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3-methylpiperazine-1-carboxylate
CID 134296550
[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[(2R)-4-(1-hydroxycyclobutanecarbonyl)-2-methylpiperazin-1-yl]methanone
CID 122573991
7-tert-butyl-5-(4-fluoro-3-methylphenyl)furo[3,2-b]pyridine-2-carboxylic acid
CID 122573980
5-(4-phenylphenyl)furo[3,2-b]pyridine-2-carboxylic acid
CID 155391753
5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylic acid;5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid;methane;methyl 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylate;molecular iodine;hydroiodide
CID 159342716
2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid
CID 3796863
[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
CID 122573881

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid (CID 122574086) is 7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid is CCC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)O)oc12.
What is the InChIKey of 7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is YXCUBTFHHQZPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-3-10(2)13-8-14(11-4-6-12(19)7-5-11)20-15-9-16(18(21)22)23-17(13)15/h4-10H,3H2,1-2H3,(H,21,22).
What are the key properties of 7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid?
7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 313.33 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 122574086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).