2-fluoro-5-(5-propyl-2-pyridinyl)aniline

C14H15FN2 — CID 837868

IUPAC2-fluoro-5-(5-propyl-2-pyridinyl)aniline
SMILESCCCc1ccc(-c2ccc(F)c(N)c2)nc1
InChIInChI=1S/C14H15FN2/c1-2-3-10-4-7-14(17-9-10)11-5-6-12(15)13(16)8-11/h4-9H,2-3,16H2,1H3
InChIKeyPLFGZBNKKXCKMO-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.42
Rot. Bonds3

About 2-fluoro-5-(5-propyl-2-pyridinyl)aniline

2-fluoro-5-(5-propyl-2-pyridinyl)aniline (PubChem CID 837868) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-fluoro-5-(5-propyl-2-pyridinyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(5-propyl-2-pyridinyl)aniline
PubChem CID837868
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name2-fluoro-5-(5-propyl-2-pyridinyl)aniline
SMILESCCCc1ccc(-c2ccc(F)c(N)c2)nc1
InChIInChI=1S/C14H15FN2/c1-2-3-10-4-7-14(17-9-10)11-5-6-12(15)13(16)8-11/h4-9H,2-3,16H2,1H3
InChIKeyPLFGZBNKKXCKMO-UHFFFAOYSA-N
XLogP3.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
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-5-(5-propyl-2-pyridinyl)aniline?
The IUPAC name of 2-fluoro-5-(5-propyl-2-pyridinyl)aniline (CID 837868) is 2-fluoro-5-(5-propyl-2-pyridinyl)aniline.
What is the SMILES notation for 2-fluoro-5-(5-propyl-2-pyridinyl)aniline?
The canonical SMILES for 2-fluoro-5-(5-propyl-2-pyridinyl)aniline is CCCc1ccc(-c2ccc(F)c(N)c2)nc1.
What is the InChIKey of 2-fluoro-5-(5-propyl-2-pyridinyl)aniline?
The InChIKey is PLFGZBNKKXCKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-2-3-10-4-7-14(17-9-10)11-5-6-12(15)13(16)8-11/h4-9H,2-3,16H2,1H3.
What are the key properties of 2-fluoro-5-(5-propyl-2-pyridinyl)aniline?
2-fluoro-5-(5-propyl-2-pyridinyl)aniline has a molecular weight of 230.29 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(5-propyl-2-pyridinyl)aniline is sourced from PubChem (CID 837868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).