4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-amine

C15H12FN3 — CID 59988410

IUPAC4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-amine
SMILESNc1[nH]cc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C15H12FN3/c16-12-3-1-10(2-4-12)13-9-19-15(17)14(13)11-5-7-18-8-6-11/h1-9,19H,17H2
InChIKeyZSAFHEGKDCIVTG-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.46
Rot. Bonds2

About 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-amine

4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-amine (PubChem CID 59988410) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-amine
PubChem CID59988410
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-amine
SMILESNc1[nH]cc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C15H12FN3/c16-12-3-1-10(2-4-12)13-9-19-15(17)14(13)11-5-7-18-8-6-11/h1-9,19H,17H2
InChIKeyZSAFHEGKDCIVTG-UHFFFAOYSA-N
XLogP3.46
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-amine (CID 59988410) is 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-amine is Nc1[nH]cc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-amine?
The InChIKey is ZSAFHEGKDCIVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-12-3-1-10(2-4-12)13-9-19-15(17)14(13)11-5-7-18-8-6-11/h1-9,19H,17H2.
What are the key properties of 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-amine?
4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-amine has a molecular weight of 253.28 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-amine is sourced from PubChem (CID 59988410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).