N-[(E)-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]aniline

C14H11FN4 — CID 170661137

IUPACN-[(E)-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]aniline
SMILESFc1cnc2[nH]cc(/C=N/Nc3ccccc3)c2c1
InChIInChI=1S/C14H11FN4/c15-11-6-13-10(7-16-14(13)17-9-11)8-18-19-12-4-2-1-3-5-12/h1-9,19H,(H,16,17)/b18-8+
InChIKeyDFJZQGWYKQBQTQ-QGMBQPNBSA-N
MW254.27 g/mol
LogP3.15
Rot. Bonds3

About N-[(E)-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]aniline

N-[(E)-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]aniline (PubChem CID 170661137) has the molecular formula C14H11FN4 and a molecular weight of 254.27 g/mol. Its IUPAC name is N-[(E)-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]aniline
PubChem CID170661137
Molecular FormulaC14H11FN4
Molecular Weight254.27 g/mol
Exact Mass254.10
IUPAC NameN-[(E)-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]aniline
SMILESFc1cnc2[nH]cc(/C=N/Nc3ccccc3)c2c1
InChIInChI=1S/C14H11FN4/c15-11-6-13-10(7-16-14(13)17-9-11)8-18-19-12-4-2-1-3-5-12/h1-9,19H,(H,16,17)/b18-8+
InChIKeyDFJZQGWYKQBQTQ-QGMBQPNBSA-N
XLogP3.15
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]aniline?
The IUPAC name of N-[(E)-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]aniline (CID 170661137) is N-[(E)-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]aniline.
What is the SMILES notation for N-[(E)-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]aniline?
The canonical SMILES for N-[(E)-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]aniline is Fc1cnc2[nH]cc(/C=N/Nc3ccccc3)c2c1.
What is the InChIKey of N-[(E)-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]aniline?
The InChIKey is DFJZQGWYKQBQTQ-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H11FN4/c15-11-6-13-10(7-16-14(13)17-9-11)8-18-19-12-4-2-1-3-5-12/h1-9,19H,(H,16,17)/b18-8+.
What are the key properties of N-[(E)-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]aniline?
N-[(E)-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]aniline has a molecular weight of 254.27 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]aniline is sourced from PubChem (CID 170661137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).