1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxylic acid

C12H14N2O3 — CID 84697473

IUPAC1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESCC(C)Oc1ccnc2c1c(C(=O)O)cn2C
InChIInChI=1S/C12H14N2O3/c1-7(2)17-9-4-5-13-11-10(9)8(12(15)16)6-14(11)3/h4-7H,1-3H3,(H,15,16)
InChIKeySDMLXRFAAXMARF-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.06
Rot. Bonds3

About 1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxylic acid

1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxylic acid (PubChem CID 84697473) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxylic acid
PubChem CID84697473
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESCC(C)Oc1ccnc2c1c(C(=O)O)cn2C
InChIInChI=1S/C12H14N2O3/c1-7(2)17-9-4-5-13-11-10(9)8(12(15)16)6-14(11)3/h4-7H,1-3H3,(H,15,16)
InChIKeySDMLXRFAAXMARF-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carbonitrile
CID 84681119
1-methyl-4-(methylamino)pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84673098
1-[1-(benzenesulfonyl)-4-propan-2-yloxypyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 24801532
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
3-methyl-7-propan-2-yloxyimidazo[4,5-b]pyridine-2-carbaldehyde
CID 84684645
1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 83907341
4-propan-2-yl-2-propan-2-yloxybenzoic acid
CID 164827443
2-methylpropyl 1-methylpyrrolo[2,3-b]pyridine-3-carboxylate
CID 175615250
1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid
CID 43324425
7-propan-2-yloxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 163409780
3-bromo-4-propan-2-yloxyphthalic acid
CID 141027312
4-formyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 141284239

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxylic acid (CID 84697473) is 1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxylic acid is CC(C)Oc1ccnc2c1c(C(=O)O)cn2C.
What is the InChIKey of 1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is SDMLXRFAAXMARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7(2)17-9-4-5-13-11-10(9)8(12(15)16)6-14(11)3/h4-7H,1-3H3,(H,15,16).
What are the key properties of 1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxylic acid?
1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 84697473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).