5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C16H13ClFN3O2 — CID 11348194

IUPAC5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC(O)c1ccc(F)cc1)c1cc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C16H13ClFN3O2/c17-15-6-10-5-12(21-13(10)7-19-15)16(23)20-8-14(22)9-1-3-11(18)4-2-9/h1-7,14,21-22H,8H2,(H,20,23)
InChIKeyZOOWOMDPSKQEHM-UHFFFAOYSA-N
MW333.75 g/mol
LogP2.82
Rot. Bonds4

About 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 11348194) has the molecular formula C16H13ClFN3O2 and a molecular weight of 333.75 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID11348194
Molecular FormulaC16H13ClFN3O2
Molecular Weight333.75 g/mol
Exact Mass333.07
IUPAC Name5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC(O)c1ccc(F)cc1)c1cc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C16H13ClFN3O2/c17-15-6-10-5-12(21-13(10)7-19-15)16(23)20-8-14(22)9-1-3-11(18)4-2-9/h1-7,14,21-22H,8H2,(H,20,23)
InChIKeyZOOWOMDPSKQEHM-UHFFFAOYSA-N
XLogP2.82
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 11348194) is 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is O=C(NCC(O)c1ccc(F)cc1)c1cc2cc(Cl)ncc2[nH]1.
What is the InChIKey of 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is ZOOWOMDPSKQEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2/c17-15-6-10-5-12(21-13(10)7-19-15)16(23)20-8-14(22)9-1-3-11(18)4-2-9/h1-7,14,21-22H,8H2,(H,20,23).
What are the key properties of 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 333.75 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 11348194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).