2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine

C11H10FN3 — CID 157044293

IUPAC2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine
SMILESNc1ccc(Nc2ccncc2)c(F)c1
InChIInChI=1S/C11H10FN3/c12-10-7-8(13)1-2-11(10)15-9-3-5-14-6-4-9/h1-7H,13H2,(H,14,15)
InChIKeyPNNRAICCNHKEGH-UHFFFAOYSA-N
MW203.22 g/mol
LogP2.55
Rot. Bonds2

About 2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine

2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine (PubChem CID 157044293) has the molecular formula C11H10FN3 and a molecular weight of 203.22 g/mol. Its IUPAC name is 2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine
PubChem CID157044293
Molecular FormulaC11H10FN3
Molecular Weight203.22 g/mol
Exact Mass203.09
IUPAC Name2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine
SMILESNc1ccc(Nc2ccncc2)c(F)c1
InChIInChI=1S/C11H10FN3/c12-10-7-8(13)1-2-11(10)15-9-3-5-14-6-4-9/h1-7H,13H2,(H,14,15)
InChIKeyPNNRAICCNHKEGH-UHFFFAOYSA-N
XLogP2.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067195
1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine
CID 134408936
2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine
CID 29067094
1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067140
4-N-(2,4-difluorophenyl)benzene-1,4-diamine
CID 4764057
4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 22543522
N-(2-fluoro-4-nitrophenyl)pyridin-4-amine
CID 157044044
1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29080215
4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine
CID 2815904
N-[5-amino-2-(pyridin-4-ylamino)phenyl]methanimidoyl iodide
CID 138535096
2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine
CID 43148647
1-N-(2-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067265

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine (CID 157044293) is 2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine is Nc1ccc(Nc2ccncc2)c(F)c1.
What is the InChIKey of 2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine?
The InChIKey is PNNRAICCNHKEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3/c12-10-7-8(13)1-2-11(10)15-9-3-5-14-6-4-9/h1-7H,13H2,(H,14,15).
What are the key properties of 2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine?
2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine has a molecular weight of 203.22 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine is sourced from PubChem (CID 157044293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).