3,7-dichloro-1H-pyrrolo[2,3-c]pyridine

C7H4Cl2N2 — CID 53412470

IUPAC3,7-dichloro-1H-pyrrolo[2,3-c]pyridine
SMILESClc1c[nH]c2c(Cl)nccc12
InChIInChI=1S/C7H4Cl2N2/c8-5-3-11-6-4(5)1-2-10-7(6)9/h1-3,11H
InChIKeyYBHYTJOZUHOPTG-UHFFFAOYSA-N
MW187.03 g/mol
LogP2.87
Rot. Bonds

About 3,7-dichloro-1H-pyrrolo[2,3-c]pyridine

3,7-dichloro-1H-pyrrolo[2,3-c]pyridine (PubChem CID 53412470) has the molecular formula C7H4Cl2N2 and a molecular weight of 187.03 g/mol. Its IUPAC name is 3,7-dichloro-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3,7-dichloro-1H-pyrrolo[2,3-c]pyridine
PubChem CID53412470
Molecular FormulaC7H4Cl2N2
Molecular Weight187.03 g/mol
Exact Mass185.98
IUPAC Name3,7-dichloro-1H-pyrrolo[2,3-c]pyridine
SMILESClc1c[nH]c2c(Cl)nccc12
InChIInChI=1S/C7H4Cl2N2/c8-5-3-11-6-4(5)1-2-10-7(6)9/h1-3,11H
InChIKeyYBHYTJOZUHOPTG-UHFFFAOYSA-N
XLogP2.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.03
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-7-fluoro-1H-pyrrolo[2,3-c]pyridine
CID 53412664
8-chloro-3-methyl-1H-1,7-naphthyridin-4-one
CID 129293771
7-chloro-1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride
CID 91619175
CID 87288277
CID 87288277
(3-chloro-1H-indol-7-yl)methanol
CID 84658243
6-bromo-1-chloro-9H-pyrido[3,4-b]indole
CID 115051764
5-chloro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione
CID 177311992
4-(3-chloro-1H-indol-7-yl)-1-methylpyrazol-5-amine
CID 117369275
2,7-dichloro-1,8-phenanthroline
CID 14040331
N-[(3-chloro-1H-indol-7-yl)methyl]hydroxylamine
CID 117286523
[1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine
CID 117411533
1-chloro-8-fluoroisoquinolin-5-amine
CID 115020872

Frequently Asked Questions

What is the IUPAC name of 3,7-dichloro-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 3,7-dichloro-1H-pyrrolo[2,3-c]pyridine (CID 53412470) is 3,7-dichloro-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3,7-dichloro-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 3,7-dichloro-1H-pyrrolo[2,3-c]pyridine is Clc1c[nH]c2c(Cl)nccc12.
What is the InChIKey of 3,7-dichloro-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is YBHYTJOZUHOPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2/c8-5-3-11-6-4(5)1-2-10-7(6)9/h1-3,11H.
What are the key properties of 3,7-dichloro-1H-pyrrolo[2,3-c]pyridine?
3,7-dichloro-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 187.03 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dichloro-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 53412470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).