2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine;4-iodopyridin-3-amine

C14H15IN4 — CID 158622412

IUPAC2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine;4-iodopyridin-3-amine
SMILESCc1[nH]c2cnccc2c1C.Nc1cnccc1I
InChIInChI=1S/C9H10N2.C5H5IN2/c1-6-7(2)11-9-5-10-4-3-8(6)9;6-4-1-2-8-3-5(4)7/h3-5,11H,1-2H3;1-3H,7H2
InChIKeyHYEADLUQDATXKA-UHFFFAOYSA-N
MW366.21 g/mol
LogP3.45
Rot. Bonds

About 2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine;4-iodopyridin-3-amine

2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine;4-iodopyridin-3-amine (PubChem CID 158622412) has the molecular formula C14H15IN4 and a molecular weight of 366.21 g/mol. Its IUPAC name is 2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine;4-iodopyridin-3-amine.

Molecular Properties

Compound Name2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine;4-iodopyridin-3-amine
PubChem CID158622412
Molecular FormulaC14H15IN4
Molecular Weight366.21 g/mol
Exact Mass366.03
IUPAC Name2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine;4-iodopyridin-3-amine
SMILESCc1[nH]c2cnccc2c1C.Nc1cnccc1I
InChIInChI=1S/C9H10N2.C5H5IN2/c1-6-7(2)11-9-5-10-4-3-8(6)9;6-4-1-2-8-3-5(4)7/h3-5,11H,1-2H3;1-3H,7H2
InChIKeyHYEADLUQDATXKA-UHFFFAOYSA-N
XLogP3.45
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine;4-iodopyridin-3-amine?
The IUPAC name of 2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine;4-iodopyridin-3-amine (CID 158622412) is 2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine;4-iodopyridin-3-amine.
What is the SMILES notation for 2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine;4-iodopyridin-3-amine?
The canonical SMILES for 2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine;4-iodopyridin-3-amine is Cc1[nH]c2cnccc2c1C.Nc1cnccc1I.
What is the InChIKey of 2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine;4-iodopyridin-3-amine?
The InChIKey is HYEADLUQDATXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C5H5IN2/c1-6-7(2)11-9-5-10-4-3-8(6)9;6-4-1-2-8-3-5(4)7/h3-5,11H,1-2H3;1-3H,7H2.
What are the key properties of 2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine;4-iodopyridin-3-amine?
2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine;4-iodopyridin-3-amine has a molecular weight of 366.21 g/mol, XLogP of 3.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine;4-iodopyridin-3-amine is sourced from PubChem (CID 158622412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).