2-fluoro-4-[4-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]aniline

C19H14FN3 — CID 146253057

IUPAC2-fluoro-4-[4-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]aniline
SMILESNc1ccc(-c2ccc(-c3cc4cnccc4[nH]3)cc2)cc1F
InChIInChI=1S/C19H14FN3/c20-16-9-14(5-6-17(16)21)12-1-3-13(4-2-12)19-10-15-11-22-8-7-18(15)23-19/h1-11,23H,21H2
InChIKeyLNUNTSJZWNNEHX-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.62
Rot. Bonds2

About 2-fluoro-4-[4-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]aniline

2-fluoro-4-[4-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]aniline (PubChem CID 146253057) has the molecular formula C19H14FN3 and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-fluoro-4-[4-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[4-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]aniline
PubChem CID146253057
Molecular FormulaC19H14FN3
Molecular Weight303.34 g/mol
Exact Mass303.12
IUPAC Name2-fluoro-4-[4-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]aniline
SMILESNc1ccc(-c2ccc(-c3cc4cnccc4[nH]3)cc2)cc1F
InChIInChI=1S/C19H14FN3/c20-16-9-14(5-6-17(16)21)12-1-3-13(4-2-12)19-10-15-11-22-8-7-18(15)23-19/h1-11,23H,21H2
InChIKeyLNUNTSJZWNNEHX-UHFFFAOYSA-N
XLogP4.62
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]aniline?
The IUPAC name of 2-fluoro-4-[4-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]aniline (CID 146253057) is 2-fluoro-4-[4-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]aniline.
What is the SMILES notation for 2-fluoro-4-[4-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]aniline?
The canonical SMILES for 2-fluoro-4-[4-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]aniline is Nc1ccc(-c2ccc(-c3cc4cnccc4[nH]3)cc2)cc1F.
What is the InChIKey of 2-fluoro-4-[4-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]aniline?
The InChIKey is LNUNTSJZWNNEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3/c20-16-9-14(5-6-17(16)21)12-1-3-13(4-2-12)19-10-15-11-22-8-7-18(15)23-19/h1-11,23H,21H2.
What are the key properties of 2-fluoro-4-[4-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]aniline?
2-fluoro-4-[4-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]aniline has a molecular weight of 303.34 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]aniline is sourced from PubChem (CID 146253057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).