2-(6-chloro-3-phenylmethoxy-2-pyridinyl)-4-fluoro-1H-pyrrolo[2,3-c]pyridine

C19H13ClFN3O — CID 86728232

IUPAC2-(6-chloro-3-phenylmethoxy-2-pyridinyl)-4-fluoro-1H-pyrrolo[2,3-c]pyridine
SMILESFc1cncc2[nH]c(-c3nc(Cl)ccc3OCc3ccccc3)cc12
InChIInChI=1S/C19H13ClFN3O/c20-18-7-6-17(25-11-12-4-2-1-3-5-12)19(24-18)15-8-13-14(21)9-22-10-16(13)23-15/h1-10,23H,11H2
InChIKeyLRUYBFHHPVTSBH-UHFFFAOYSA-N
MW353.78 g/mol
LogP5.00
Rot. Bonds4

About 2-(6-chloro-3-phenylmethoxy-2-pyridinyl)-4-fluoro-1H-pyrrolo[2,3-c]pyridine

2-(6-chloro-3-phenylmethoxy-2-pyridinyl)-4-fluoro-1H-pyrrolo[2,3-c]pyridine (PubChem CID 86728232) has the molecular formula C19H13ClFN3O and a molecular weight of 353.78 g/mol. Its IUPAC name is 2-(6-chloro-3-phenylmethoxy-2-pyridinyl)-4-fluoro-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-(6-chloro-3-phenylmethoxy-2-pyridinyl)-4-fluoro-1H-pyrrolo[2,3-c]pyridine
PubChem CID86728232
Molecular FormulaC19H13ClFN3O
Molecular Weight353.78 g/mol
Exact Mass353.07
IUPAC Name2-(6-chloro-3-phenylmethoxy-2-pyridinyl)-4-fluoro-1H-pyrrolo[2,3-c]pyridine
SMILESFc1cncc2[nH]c(-c3nc(Cl)ccc3OCc3ccccc3)cc12
InChIInChI=1S/C19H13ClFN3O/c20-18-7-6-17(25-11-12-4-2-1-3-5-12)19(24-18)15-8-13-14(21)9-22-10-16(13)23-15/h1-10,23H,11H2
InChIKeyLRUYBFHHPVTSBH-UHFFFAOYSA-N
XLogP5.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(6-chloro-3-phenylmethoxy-2-pyridinyl)-4-fluoro-1H-pyrrolo[2,3-c]pyridine 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

2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
4-chloro-6-fluoro-2-methyl-7-phenylmethoxyquinoline
CID 22641319
4-chloro-6-fluoro-7-phenylmethoxyquinazoline
CID 86605229
4-chloro-3-iodo-5-phenylmethoxypyridine
CID 23642584
2-bromo-5-fluoro-3-phenylmethoxypyridine
CID 151293566
3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazole
CID 137116411
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
2-chloro-8-phenylmethoxyquinoline;1H-quinolin-2-one
CID 160714848
3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137040247
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
4-(5-fluoro-4-phenylmethoxy-2-pyridinyl)butan-1-ol
CID 167628234

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-phenylmethoxy-2-pyridinyl)-4-fluoro-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 2-(6-chloro-3-phenylmethoxy-2-pyridinyl)-4-fluoro-1H-pyrrolo[2,3-c]pyridine (CID 86728232) is 2-(6-chloro-3-phenylmethoxy-2-pyridinyl)-4-fluoro-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-(6-chloro-3-phenylmethoxy-2-pyridinyl)-4-fluoro-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-(6-chloro-3-phenylmethoxy-2-pyridinyl)-4-fluoro-1H-pyrrolo[2,3-c]pyridine is Fc1cncc2[nH]c(-c3nc(Cl)ccc3OCc3ccccc3)cc12.
What is the InChIKey of 2-(6-chloro-3-phenylmethoxy-2-pyridinyl)-4-fluoro-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is LRUYBFHHPVTSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O/c20-18-7-6-17(25-11-12-4-2-1-3-5-12)19(24-18)15-8-13-14(21)9-22-10-16(13)23-15/h1-10,23H,11H2.
What are the key properties of 2-(6-chloro-3-phenylmethoxy-2-pyridinyl)-4-fluoro-1H-pyrrolo[2,3-c]pyridine?
2-(6-chloro-3-phenylmethoxy-2-pyridinyl)-4-fluoro-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 353.78 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-phenylmethoxy-2-pyridinyl)-4-fluoro-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 86728232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).