3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine

C14H12ClN3O — CID 59593338

IUPAC3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1nc(Cl)ccc1Cc1c[nH]c2ncccc12
InChIInChI=1S/C14H12ClN3O/c1-19-14-9(4-5-12(15)18-14)7-10-8-17-13-11(10)3-2-6-16-13/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyKAEFCVYIYMGFFS-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.21
Rot. Bonds3

About 3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine

3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59593338) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID59593338
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1nc(Cl)ccc1Cc1c[nH]c2ncccc12
InChIInChI=1S/C14H12ClN3O/c1-19-14-9(4-5-12(15)18-14)7-10-8-17-13-11(10)3-2-6-16-13/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyKAEFCVYIYMGFFS-UHFFFAOYSA-N
XLogP3.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442061
4-chloro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine
CID 58259393
3-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58086764
3-[[4-methoxy-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-2-yl]-methylamino]propan-1-ol
CID 146499743
3-[[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 24953789
3-[(3-methoxy-5-methylcyclohepta-1,3,5-trien-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 143071928
3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58086816
ethane;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile
CID 91517846
3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 142204589
3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 91928260
2,6-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416280

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine (CID 59593338) is 3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine is COc1nc(Cl)ccc1Cc1c[nH]c2ncccc12.
What is the InChIKey of 3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KAEFCVYIYMGFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-19-14-9(4-5-12(15)18-14)7-10-8-17-13-11(10)3-2-6-16-13/h2-6,8H,7H2,1H3,(H,16,17).
What are the key properties of 3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 273.72 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59593338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).