6-isocyano-3-methyl-1H-pyrrolo[2,3-b]pyridine

C9H7N3 — CID 58826660

IUPAC6-isocyano-3-methyl-1H-pyrrolo[2,3-b]pyridine
SMILES[C-]#[N+]c1ccc2c(C)c[nH]c2n1
InChIInChI=1S/C9H7N3/c1-6-5-11-9-7(6)3-4-8(10-2)12-9/h3-5H,1H3,(H,11,12)
InChIKeyANHOOYLPCBIYLW-UHFFFAOYSA-N
MW157.18 g/mol
LogP2.42
Rot. Bonds

About 6-isocyano-3-methyl-1H-pyrrolo[2,3-b]pyridine

6-isocyano-3-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58826660) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 6-isocyano-3-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-isocyano-3-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID58826660
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name6-isocyano-3-methyl-1H-pyrrolo[2,3-b]pyridine
SMILES[C-]#[N+]c1ccc2c(C)c[nH]c2n1
InChIInChI=1S/C9H7N3/c1-6-5-11-9-7(6)3-4-8(10-2)12-9/h3-5H,1H3,(H,11,12)
InChIKeyANHOOYLPCBIYLW-UHFFFAOYSA-N
XLogP2.42
TPSA33.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-isocyano-3-methylpyridine
CID 59738836
3-methyl-N-(2-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 146271561
5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbaldehyde
CID 118798182
5-methyl-7H-pyrrolo[2,3-c]pyridazin-3-amine
CID 162683037
2,5-dimethyl-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 14615882
2-bromo-6-isocyanopyridin-3-ol
CID 58054089
3-methyl-1H-indole;N-methylmethanamine
CID 68994741
6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 58130150
5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
CID 145223715
3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine
CID 101366417
(E)-4-[5-(6-isocyano-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one
CID 160912226
3-isocyano-4-methyl-1H-pyridin-2-one
CID 171581169

Frequently Asked Questions

What is the IUPAC name of 6-isocyano-3-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-isocyano-3-methyl-1H-pyrrolo[2,3-b]pyridine (CID 58826660) is 6-isocyano-3-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-isocyano-3-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-isocyano-3-methyl-1H-pyrrolo[2,3-b]pyridine is [C-]#[N+]c1ccc2c(C)c[nH]c2n1.
What is the InChIKey of 6-isocyano-3-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ANHOOYLPCBIYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c1-6-5-11-9-7(6)3-4-8(10-2)12-9/h3-5H,1H3,(H,11,12).
What are the key properties of 6-isocyano-3-methyl-1H-pyrrolo[2,3-b]pyridine?
6-isocyano-3-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 157.18 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isocyano-3-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58826660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).