4-fluoro-3-(4-methyl-2-pyridinyl)aniline

C12H11FN2 — CID 22473541

IUPAC4-fluoro-3-(4-methyl-2-pyridinyl)aniline
SMILESCc1ccnc(-c2cc(N)ccc2F)c1
InChIInChI=1S/C12H11FN2/c1-8-4-5-15-12(6-8)10-7-9(14)2-3-11(10)13/h2-7H,14H2,1H3
InChIKeyASNIPXWVOQQFCQ-UHFFFAOYSA-N
MW202.23 g/mol
LogP2.78
Rot. Bonds1

About 4-fluoro-3-(4-methyl-2-pyridinyl)aniline

4-fluoro-3-(4-methyl-2-pyridinyl)aniline (PubChem CID 22473541) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 4-fluoro-3-(4-methyl-2-pyridinyl)aniline.

Molecular Properties

Compound Name4-fluoro-3-(4-methyl-2-pyridinyl)aniline
PubChem CID22473541
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name4-fluoro-3-(4-methyl-2-pyridinyl)aniline
SMILESCc1ccnc(-c2cc(N)ccc2F)c1
InChIInChI=1S/C12H11FN2/c1-8-4-5-15-12(6-8)10-7-9(14)2-3-11(10)13/h2-7H,14H2,1H3
InChIKeyASNIPXWVOQQFCQ-UHFFFAOYSA-N
XLogP2.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 52.78
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 4-fluoro-3-(4-methyl-2-pyridinyl)aniline?
The IUPAC name of 4-fluoro-3-(4-methyl-2-pyridinyl)aniline (CID 22473541) is 4-fluoro-3-(4-methyl-2-pyridinyl)aniline.
What is the SMILES notation for 4-fluoro-3-(4-methyl-2-pyridinyl)aniline?
The canonical SMILES for 4-fluoro-3-(4-methyl-2-pyridinyl)aniline is Cc1ccnc(-c2cc(N)ccc2F)c1.
What is the InChIKey of 4-fluoro-3-(4-methyl-2-pyridinyl)aniline?
The InChIKey is ASNIPXWVOQQFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2/c1-8-4-5-15-12(6-8)10-7-9(14)2-3-11(10)13/h2-7H,14H2,1H3.
What are the key properties of 4-fluoro-3-(4-methyl-2-pyridinyl)aniline?
4-fluoro-3-(4-methyl-2-pyridinyl)aniline has a molecular weight of 202.23 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(4-methyl-2-pyridinyl)aniline is sourced from PubChem (CID 22473541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).