(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)boronic acid

C8H8BClN2O2 — CID 163252760

IUPAC(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)boronic acid
SMILESCn1c(B(O)O)cc2cc(Cl)ncc21
InChIInChI=1S/C8H8BClN2O2/c1-12-6-4-11-8(10)3-5(6)2-7(12)9(13)14/h2-4,13-14H,1H3
InChIKeyQEABMCCMBSAUNX-UHFFFAOYSA-N
MW210.43 g/mol
LogP-0.09
Rot. Bonds1

About (5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)boronic acid

(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)boronic acid (PubChem CID 163252760) has the molecular formula C8H8BClN2O2 and a molecular weight of 210.43 g/mol. Its IUPAC name is (5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)boronic acid.

Molecular Properties

Compound Name(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)boronic acid
PubChem CID163252760
Molecular FormulaC8H8BClN2O2
Molecular Weight210.43 g/mol
Exact Mass210.04
IUPAC Name(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)boronic acid
SMILESCn1c(B(O)O)cc2cc(Cl)ncc21
InChIInChI=1S/C8H8BClN2O2/c1-12-6-4-11-8(10)3-5(6)2-7(12)9(13)14/h2-4,13-14H,1H3
InChIKeyQEABMCCMBSAUNX-UHFFFAOYSA-N
XLogP-0.09
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.43
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 163252822
CID 163252822
5-chloro-2-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridine
CID 163252804
[(1E,3Z)-1-amino-6-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-1-ethoxyhexa-1,3-dien-2-yl]boronic acid
CID 174002364
(E)-2-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-ethenylimino-1-methoxyprop-1-en-1-amine
CID 167023427
(4-chloro-1-methylindol-2-yl)boronic acid
CID 91275284
5-chloro-2-(4-ethyl-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridine
CID 163252771
5-chloro-2-(5-fluoro-2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridine
CID 163252489
5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridine
CID 141136063
6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;(1,5-dimethylindol-2-yl)boronic acid;bis(triphenylphosphane)
CID 158303222
5-chloro-1-propan-2-ylpyrazolo[3,4-c]pyridine
CID 176811583
4-chloro-6-(4,5-diiodoimidazol-1-yl)-2-methylpyrimidine
CID 130508571
3-chloro-7,9-dimethylpyrido[3,4-b]indole
CID 115038034

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)boronic acid?
The IUPAC name of (5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)boronic acid (CID 163252760) is (5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)boronic acid.
What is the SMILES notation for (5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)boronic acid?
The canonical SMILES for (5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)boronic acid is Cn1c(B(O)O)cc2cc(Cl)ncc21.
What is the InChIKey of (5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)boronic acid?
The InChIKey is QEABMCCMBSAUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BClN2O2/c1-12-6-4-11-8(10)3-5(6)2-7(12)9(13)14/h2-4,13-14H,1H3.
What are the key properties of (5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)boronic acid?
(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)boronic acid has a molecular weight of 210.43 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)boronic acid is sourced from PubChem (CID 163252760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).