4-chloro-1H-pyrrolo[3,2-c]pyridin-6-amine

C7H6ClN3 — CID 123538306

IUPAC4-chloro-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESNc1cc2[nH]ccc2c(Cl)n1
InChIInChI=1S/C7H6ClN3/c8-7-4-1-2-10-5(4)3-6(9)11-7/h1-3,10H,(H2,9,11)
InChIKeyPTYOYOYEJPGJIB-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.80
Rot. Bonds

About 4-chloro-1H-pyrrolo[3,2-c]pyridin-6-amine

4-chloro-1H-pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 123538306) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 4-chloro-1H-pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound Name4-chloro-1H-pyrrolo[3,2-c]pyridin-6-amine
PubChem CID123538306
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name4-chloro-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESNc1cc2[nH]ccc2c(Cl)n1
InChIInChI=1S/C7H6ClN3/c8-7-4-1-2-10-5(4)3-6(9)11-7/h1-3,10H,(H2,9,11)
InChIKeyPTYOYOYEJPGJIB-UHFFFAOYSA-N
XLogP1.80
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1H-pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of 4-chloro-1H-pyrrolo[3,2-c]pyridin-6-amine (CID 123538306) is 4-chloro-1H-pyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for 4-chloro-1H-pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for 4-chloro-1H-pyrrolo[3,2-c]pyridin-6-amine is Nc1cc2[nH]ccc2c(Cl)n1.
What is the InChIKey of 4-chloro-1H-pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is PTYOYOYEJPGJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c8-7-4-1-2-10-5(4)3-6(9)11-7/h1-3,10H,(H2,9,11).
What are the key properties of 4-chloro-1H-pyrrolo[3,2-c]pyridin-6-amine?
4-chloro-1H-pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 167.60 g/mol, XLogP of 1.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1H-pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 123538306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).