[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methanol

C14H12ClN3O — CID 59578439

IUPAC[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methanol
SMILESCn1c(-c2cncc(CO)c2)cc2cnc(Cl)cc21
InChIInChI=1S/C14H12ClN3O/c1-18-12(10-2-9(8-19)5-16-6-10)3-11-7-17-14(15)4-13(11)18/h2-7,19H,8H2,1H3
InChIKeyVGABPAWZOUKBJC-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.78
Rot. Bonds2

About [5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methanol

[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methanol (PubChem CID 59578439) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is [5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methanol
PubChem CID59578439
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methanol
SMILESCn1c(-c2cncc(CO)c2)cc2cnc(Cl)cc21
InChIInChI=1S/C14H12ClN3O/c1-18-12(10-2-9(8-19)5-16-6-10)3-11-7-17-14(15)4-13(11)18/h2-7,19H,8H2,1H3
InChIKeyVGABPAWZOUKBJC-UHFFFAOYSA-N
XLogP2.78
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methanol (CID 59578439) is [5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methanol is Cn1c(-c2cncc(CO)c2)cc2cnc(Cl)cc21.
What is the InChIKey of [5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methanol?
The InChIKey is VGABPAWZOUKBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-18-12(10-2-9(8-19)5-16-6-10)3-11-7-17-14(15)4-13(11)18/h2-7,19H,8H2,1H3.
What are the key properties of [5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methanol?
[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methanol has a molecular weight of 273.72 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 59578439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).