1-(4-fluoro-3-methoxyphenyl)pyrrolo[2,3-b]pyridine-4-carboxylic acid

C15H11FN2O3 — CID 178035443

IUPAC1-(4-fluoro-3-methoxyphenyl)pyrrolo[2,3-b]pyridine-4-carboxylic acid
SMILESCOc1cc(-n2ccc3c(C(=O)O)ccnc32)ccc1F
InChIInChI=1S/C15H11FN2O3/c1-21-13-8-9(2-3-12(13)16)18-7-5-10-11(15(19)20)4-6-17-14(10)18/h2-8H,1H3,(H,19,20)
InChIKeyBRFUBLDSFULUTA-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.87
Rot. Bonds3

About 1-(4-fluoro-3-methoxyphenyl)pyrrolo[2,3-b]pyridine-4-carboxylic acid

1-(4-fluoro-3-methoxyphenyl)pyrrolo[2,3-b]pyridine-4-carboxylic acid (PubChem CID 178035443) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)pyrrolo[2,3-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)pyrrolo[2,3-b]pyridine-4-carboxylic acid
PubChem CID178035443
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name1-(4-fluoro-3-methoxyphenyl)pyrrolo[2,3-b]pyridine-4-carboxylic acid
SMILESCOc1cc(-n2ccc3c(C(=O)O)ccnc32)ccc1F
InChIInChI=1S/C15H11FN2O3/c1-21-13-8-9(2-3-12(13)16)18-7-5-10-11(15(19)20)4-6-17-14(10)18/h2-8H,1H3,(H,19,20)
InChIKeyBRFUBLDSFULUTA-UHFFFAOYSA-N
XLogP2.87
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(4-fluoro-3-methoxyphenyl)indole-4-carboxylate
CID 178035446
6-fluoro-8-methoxyquinoline-4-carboxylic acid
CID 102941769
2-[1-(4-fluoro-3-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 114840818
1-(4-fluoro-3-methoxyphenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 114840299
2-methoxy-5-(2-methylimidazol-1-yl)benzoic acid
CID 82513098
2-amino-5-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid
CID 11293467
2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
CID 53226579
4-chloro-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine
CID 58110571
5-tert-butyl-1-(4-fluoro-3-methoxyphenyl)-1,2,4-triazole-3-carboxylic acid
CID 114840593
2,4-difluoro-5-methoxybenzoic acid
CID 117280967
2-methoxy-5-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzoic acid
CID 18464702
3-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 118704420

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)pyrrolo[2,3-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)pyrrolo[2,3-b]pyridine-4-carboxylic acid (CID 178035443) is 1-(4-fluoro-3-methoxyphenyl)pyrrolo[2,3-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)pyrrolo[2,3-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)pyrrolo[2,3-b]pyridine-4-carboxylic acid is COc1cc(-n2ccc3c(C(=O)O)ccnc32)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)pyrrolo[2,3-b]pyridine-4-carboxylic acid?
The InChIKey is BRFUBLDSFULUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c1-21-13-8-9(2-3-12(13)16)18-7-5-10-11(15(19)20)4-6-17-14(10)18/h2-8H,1H3,(H,19,20).
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)pyrrolo[2,3-b]pyridine-4-carboxylic acid?
1-(4-fluoro-3-methoxyphenyl)pyrrolo[2,3-b]pyridine-4-carboxylic acid has a molecular weight of 286.26 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)pyrrolo[2,3-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 178035443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).