3-hydroxy-2-methylbenzoic acid;3-[methoxy-(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;2-methyl-3-phenylmethoxybenzaldehyde;2-methyl-3-phenylmethoxybenzoic acid;(2-methyl-3-phenylmethoxyphenyl)methanol;3-[(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine

C149H138N10O17 — CID 158168301

About 3-hydroxy-2-methylbenzoic acid;3-[methoxy-(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;2-methyl-3-phenylmethoxybenzaldehyde;2-methyl-3-phenylmethoxybenzoic acid;(2-methyl-3-phenylmethoxyphenyl)methanol;3-[(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine

3-hydroxy-2-methylbenzoic acid;3-[methoxy-(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;2-methyl-3-phenylmethoxybenzaldehyde;2-methyl-3-phenylmethoxybenzoic acid;(2-methyl-3-phenylmethoxyphenyl)methanol;3-[(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine (PubChem CID 158168301) has the molecular formula C149H138N10O17 and a molecular weight of 2340.80 g/mol. Its IUPAC name is 3-hydroxy-2-methylbenzoic acid;3-[methoxy-(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;2-methyl-3-phenylmethoxybenzaldehyde;2-methyl-3-phenylmethoxybenzoic acid;(2-methyl-3-phenylmethoxyphenyl)methanol;3-[(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 3-hydroxy-2-methylbenzoic acid;3-[methoxy-(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;2-methyl-3-phenylmethoxybenzaldehyde;2-methyl-3-phenylmethoxybenzoic acid;(2-methyl-3-phenylmethoxyphenyl)methanol;3-[(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158168301
• Molecular Formula: C149H138N10O17
• Molecular Weight: 2340.80 g/mol
• Exact Mass: 2339.02
• IUPAC Name: 3-hydroxy-2-methylbenzoic acid;3-[methoxy-(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;2-methyl-3-phenylmethoxybenzaldehyde;2-methyl-3-phenylmethoxybenzoic acid;(2-methyl-3-phenylmethoxyphenyl)methanol;3-[(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine
• SMILES: COC(c1cccc(OCc2ccccc2)c1C)c1c[nH]c2ncccc12.Cc1c(C=O)cccc1OCc1ccccc1.Cc1c(CO)cccc1OCc1ccccc1.Cc1c(Cc2c[nH]c3ncccc23)cccc1OCc1ccccc1.Cc1c(O)cccc1C(=O)O.Cc1c(OCc2ccccc2)cccc1C(=O)O.Cc1c(OCc2ccccc2)cccc1C(=O)c1c[nH]c2ncccc12.Cc1c(OCc2ccccc2)cccc1C(O)c1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C23H22N2O2.C22H20N2O2.C22H18N2O2.C22H20N2O.C15H14O3.C15H16O2.C15H14O2.C8H8O3.C7H6N2/c1-16-18(10-6-12-21(16)27-15-17-8-4-3-5-9-17)22(26-2)20-14-25-23-19(20)11-7-13-24-23;2*1-15-17(21(25)19-13-24-22-18(19)10-6-12-23-22)9-5-11-20(15)26-14-16-7-3-2-4-8-16;1-16-18(13-19-14-24-22-20(19)10-6-12-23-22)9-5-11-21(16)25-15-17-7-3-2-4-8-17;1-11-13(15(16)17)8-5-9-14(11)18-10-12-6-3-2-4-7-12;2*1-12-14(10-16)8-5-9-15(12)17-11-13-6-3-2-4-7-13;1-5-6(8(10)11)3-2-4-7(5)9;1-2-6-3-5-9-7(6)8-4-1/h3-14,22H,15H2,1-2H3,(H,24,25);2-13,21,25H,14H2,1H3,(H,23,24);2-13H,14H2,1H3,(H,23,24);2-12,14H,13,15H2,1H3,(H,23,24);2-9H,10H2,1H3,(H,16,17);2-9,16H,10-11H2,1H3;2-10H,11H2,1H3;2-4,9H,1H3,(H,10,11);1-5H,(H,8,9)
• InChIKey: FXCVCDXWNMBCRD-UHFFFAOYSA-N
• XLogP: 32.13
• TPSA: 386.67 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 34
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2340.80
LogP ≤ 5	32.13
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methylbenzoic acid;3-[methoxy-(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;2-methyl-3-phenylmethoxybenzaldehyde;2-methyl-3-phenylmethoxybenzoic acid;(2-methyl-3-phenylmethoxyphenyl)methanol;3-[(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 3-hydroxy-2-methylbenzoic acid;3-[methoxy-(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;2-methyl-3-phenylmethoxybenzaldehyde;2-methyl-3-phenylmethoxybenzoic acid;(2-methyl-3-phenylmethoxyphenyl)methanol;3-[(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine (CID 158168301) is 3-hydroxy-2-methylbenzoic acid;3-[methoxy-(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;2-methyl-3-phenylmethoxybenzaldehyde;2-methyl-3-phenylmethoxybenzoic acid;(2-methyl-3-phenylmethoxyphenyl)methanol;3-[(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 3-hydroxy-2-methylbenzoic acid;3-[methoxy-(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;2-methyl-3-phenylmethoxybenzaldehyde;2-methyl-3-phenylmethoxybenzoic acid;(2-methyl-3-phenylmethoxyphenyl)methanol;3-[(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 3-hydroxy-2-methylbenzoic acid;3-[methoxy-(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;2-methyl-3-phenylmethoxybenzaldehyde;2-methyl-3-phenylmethoxybenzoic acid;(2-methyl-3-phenylmethoxyphenyl)methanol;3-[(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine is COC(c1cccc(OCc2ccccc2)c1C)c1c[nH]c2ncccc12.Cc1c(C=O)cccc1OCc1ccccc1.Cc1c(CO)cccc1OCc1ccccc1.Cc1c(Cc2c[nH]c3ncccc23)cccc1OCc1ccccc1.Cc1c(O)cccc1C(=O)O.Cc1c(OCc2ccccc2)cccc1C(=O)O.Cc1c(OCc2ccccc2)cccc1C(=O)c1c[nH]c2ncccc12.Cc1c(OCc2ccccc2)cccc1C(O)c1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1.

What is the InChIKey of 3-hydroxy-2-methylbenzoic acid;3-[methoxy-(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;2-methyl-3-phenylmethoxybenzaldehyde;2-methyl-3-phenylmethoxybenzoic acid;(2-methyl-3-phenylmethoxyphenyl)methanol;3-[(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine?

The InChIKey is FXCVCDXWNMBCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2.C22H20N2O2.C22H18N2O2.C22H20N2O.C15H14O3.C15H16O2.C15H14O2.C8H8O3.C7H6N2/c1-16-18(10-6-12-21(16)27-15-17-8-4-3-5-9-17)22(26-2)20-14-25-23-19(20)11-7-13-24-23;2*1-15-17(21(25)19-13-24-22-18(19)10-6-12-23-22)9-5-11-20(15)26-14-16-7-3-2-4-8-16;1-16-18(13-19-14-24-22-20(19)10-6-12-23-22)9-5-11-21(16)25-15-17-7-3-2-4-8-17;1-11-13(15(16)17)8-5-9-14(11)18-10-12-6-3-2-4-7-12;2*1-12-14(10-16)8-5-9-15(12)17-11-13-6-3-2-4-7-13;1-5-6(8(10)11)3-2-4-7(5)9;1-2-6-3-5-9-7(6)8-4-1/h3-14,22H,15H2,1-2H3,(H,24,25);2-13,21,25H,14H2,1H3,(H,23,24);2-13H,14H2,1H3,(H,23,24);2-12,14H,13,15H2,1H3,(H,23,24);2-9H,10H2,1H3,(H,16,17);2-9,16H,10-11H2,1H3;2-10H,11H2,1H3;2-4,9H,1H3,(H,10,11);1-5H,(H,8,9).

What are the key properties of 3-hydroxy-2-methylbenzoic acid;3-[methoxy-(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;2-methyl-3-phenylmethoxybenzaldehyde;2-methyl-3-phenylmethoxybenzoic acid;(2-methyl-3-phenylmethoxyphenyl)methanol;3-[(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine?

3-hydroxy-2-methylbenzoic acid;3-[methoxy-(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;2-methyl-3-phenylmethoxybenzaldehyde;2-methyl-3-phenylmethoxybenzoic acid;(2-methyl-3-phenylmethoxyphenyl)methanol;3-[(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2340.80 g/mol, XLogP of 32.13, 34 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-2-methylbenzoic acid;3-[methoxy-(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;2-methyl-3-phenylmethoxybenzaldehyde;2-methyl-3-phenylmethoxybenzoic acid;(2-methyl-3-phenylmethoxyphenyl)methanol;3-[(2-methyl-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158168301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).