7-chloro-1-methylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol

C10H11ClN2O2 — CID 166476014

IUPAC7-chloro-1-methylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol
SMILESCO.Cn1c(C=O)cc2ccnc(Cl)c21
InChIInChI=1S/C9H7ClN2O.CH4O/c1-12-7(5-13)4-6-2-3-11-9(10)8(6)12;1-2/h2-5H,1H3;2H,1H3
InChIKeyIMPNMZXAIZRHNV-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.65
Rot. Bonds1

About 7-chloro-1-methylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol

7-chloro-1-methylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol (PubChem CID 166476014) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 7-chloro-1-methylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol.

Molecular Properties

Compound Name7-chloro-1-methylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol
PubChem CID166476014
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name7-chloro-1-methylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol
SMILESCO.Cn1c(C=O)cc2ccnc(Cl)c21
InChIInChI=1S/C9H7ClN2O.CH4O/c1-12-7(5-13)4-6-2-3-11-9(10)8(6)12;1-2/h2-5H,1H3;2H,1H3
InChIKeyIMPNMZXAIZRHNV-UHFFFAOYSA-N
XLogP1.65
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol
CID 166476022
1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde
CID 166475948
2-bromo-7-chloro-1-methylpyrrolo[2,3-c]pyridine
CID 84705243
5-chloro-7-fluoro-1-methylindole-2-carbaldehyde
CID 105465519
N-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
CID 166475878
1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde
CID 82415580
5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 84665767
4-[[(8-chloro-1-methyl-2-oxo-1,7-naphthyridin-3-yl)methylamino]methyl]benzonitrile
CID 169147481
5-methoxy-1,7-dimethylindole-2-carbaldehyde
CID 105455211
methanol;2-methylpyrazole-3-carbaldehyde
CID 143813492
1,4-dimethylpyrrolo[2,3-d]imidazole-5-carbaldehyde
CID 84651560
1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolo[2,3-b]pyridine-2-carbaldehyde
CID 84695709

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol?
The IUPAC name of 7-chloro-1-methylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol (CID 166476014) is 7-chloro-1-methylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol.
What is the SMILES notation for 7-chloro-1-methylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol?
The canonical SMILES for 7-chloro-1-methylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol is CO.Cn1c(C=O)cc2ccnc(Cl)c21.
What is the InChIKey of 7-chloro-1-methylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol?
The InChIKey is IMPNMZXAIZRHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O.CH4O/c1-12-7(5-13)4-6-2-3-11-9(10)8(6)12;1-2/h2-5H,1H3;2H,1H3.
What are the key properties of 7-chloro-1-methylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol?
7-chloro-1-methylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol has a molecular weight of 226.66 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol is sourced from PubChem (CID 166476014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).