2-methyl-5-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

C14H13N3 — CID 58564624

IUPAC2-methyl-5-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc2cc(Cc3ccncc3)cnc2[nH]1
InChIInChI=1S/C14H13N3/c1-10-6-13-8-12(9-16-14(13)17-10)7-11-2-4-15-5-3-11/h2-6,8-9H,7H2,1H3,(H,16,17)
InChIKeyWVJTXQGWNKJXPR-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.86
Rot. Bonds2

About 2-methyl-5-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

2-methyl-5-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58564624) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-5-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-5-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID58564624
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2-methyl-5-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc2cc(Cc3ccncc3)cnc2[nH]1
InChIInChI=1S/C14H13N3/c1-10-6-13-8-12(9-16-14(13)17-10)7-11-2-4-15-5-3-11/h2-6,8-9H,7H2,1H3,(H,16,17)
InChIKeyWVJTXQGWNKJXPR-UHFFFAOYSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430836
2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 70866005
carbon dioxide;3-methyl-1-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)butan-2-one
CID 158386161
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
[4-[(2-carbamoyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]phenyl]boronic acid
CID 174242986
5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58182258
4-[(4-iodophenyl)methyl]pyridine
CID 14743030
2-benzyl-5-chloro-1H-pyrrolo[2,3-b]pyridine
CID 170986716
2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine
CID 57330080
4-[[2,4,6-trimethyl-3-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 118040317
N-[2,4-difluoro-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
CID 58252021
5-[3-fluoro-4-(2-methylprop-2-enyl)phenyl]-2-methyl-1H-pyrrolo[2,3-b]pyridine
CID 166876984

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-methyl-5-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (CID 58564624) is 2-methyl-5-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-5-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-methyl-5-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is Cc1cc2cc(Cc3ccncc3)cnc2[nH]1.
What is the InChIKey of 2-methyl-5-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is WVJTXQGWNKJXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-6-13-8-12(9-16-14(13)17-10)7-11-2-4-15-5-3-11/h2-6,8-9H,7H2,1H3,(H,16,17).
What are the key properties of 2-methyl-5-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
2-methyl-5-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 223.28 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58564624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).