2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide

C20H14ClFN4O2 — CID 130382750

IUPAC2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C(O)c2c[nH]c3ncccc23)c(F)n1)c1ccccc1Cl
InChIInChI=1S/C20H14ClFN4O2/c21-15-6-2-1-4-12(15)20(28)26-16-8-7-13(18(22)25-16)17(27)14-10-24-19-11(14)5-3-9-23-19/h1-10,17,27H,(H,23,24)(H,25,26,28)
InChIKeyUHLNZPFENPDGRC-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.08
Rot. Bonds4

About 2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide

2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide (PubChem CID 130382750) has the molecular formula C20H14ClFN4O2 and a molecular weight of 396.81 g/mol. Its IUPAC name is 2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide
PubChem CID130382750
Molecular FormulaC20H14ClFN4O2
Molecular Weight396.81 g/mol
Exact Mass396.08
IUPAC Name2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C(O)c2c[nH]c3ncccc23)c(F)n1)c1ccccc1Cl
InChIInChI=1S/C20H14ClFN4O2/c21-15-6-2-1-4-12(15)20(28)26-16-8-7-13(18(22)25-16)17(27)14-10-24-19-11(14)5-3-9-23-19/h1-10,17,27H,(H,23,24)(H,25,26,28)
InChIKeyUHLNZPFENPDGRC-UHFFFAOYSA-N
XLogP4.08
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide?
The IUPAC name of 2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide (CID 130382750) is 2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide is O=C(Nc1ccc(C(O)c2c[nH]c3ncccc23)c(F)n1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide?
The InChIKey is UHLNZPFENPDGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O2/c21-15-6-2-1-4-12(15)20(28)26-16-8-7-13(18(22)25-16)17(27)14-10-24-19-11(14)5-3-9-23-19/h1-10,17,27H,(H,23,24)(H,25,26,28).
What are the key properties of 2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide?
2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide has a molecular weight of 396.81 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 130382750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).