(3-amino-2,6-difluorophenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C14H8ClF2N3O — CID 58086398

IUPAC(3-amino-2,6-difluorophenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESNc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
InChIInChI=1S/C14H8ClF2N3O/c15-6-3-7-8(5-20-14(7)19-4-6)13(21)11-9(16)1-2-10(18)12(11)17/h1-5H,18H2,(H,19,20)
InChIKeyMVKWDNQCWQPTST-UHFFFAOYSA-N
MW307.69 g/mol
LogP3.31
Rot. Bonds2

About (3-amino-2,6-difluorophenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

(3-amino-2,6-difluorophenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 58086398) has the molecular formula C14H8ClF2N3O and a molecular weight of 307.69 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(3-amino-2,6-difluorophenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID58086398
Molecular FormulaC14H8ClF2N3O
Molecular Weight307.69 g/mol
Exact Mass307.03
IUPAC Name(3-amino-2,6-difluorophenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESNc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
InChIInChI=1S/C14H8ClF2N3O/c15-6-3-7-8(5-20-14(7)19-4-6)13(21)11-9(16)1-2-10(18)12(11)17/h1-5H,18H2,(H,19,20)
InChIKeyMVKWDNQCWQPTST-UHFFFAOYSA-N
XLogP3.31
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2,6-difluorophenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (3-amino-2,6-difluorophenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 58086398) is (3-amino-2,6-difluorophenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (3-amino-2,6-difluorophenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (3-amino-2,6-difluorophenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F.
What is the InChIKey of (3-amino-2,6-difluorophenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is MVKWDNQCWQPTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N3O/c15-6-3-7-8(5-20-14(7)19-4-6)13(21)11-9(16)1-2-10(18)12(11)17/h1-5H,18H2,(H,19,20).
What are the key properties of (3-amino-2,6-difluorophenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(3-amino-2,6-difluorophenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 307.69 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,6-difluorophenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 58086398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).