1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine

C11H9ClFN3 — CID 134408936

IUPAC1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine
SMILESNc1ccc(Nc2ccnc(Cl)c2)c(F)c1
InChIInChI=1S/C11H9ClFN3/c12-11-6-8(3-4-15-11)16-10-2-1-7(14)5-9(10)13/h1-6H,14H2,(H,15,16)
InChIKeyFIXDLINBNQEZKJ-UHFFFAOYSA-N
MW237.67 g/mol
LogP3.20
Rot. Bonds2

About 1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine

1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine (PubChem CID 134408936) has the molecular formula C11H9ClFN3 and a molecular weight of 237.67 g/mol. Its IUPAC name is 1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine
PubChem CID134408936
Molecular FormulaC11H9ClFN3
Molecular Weight237.67 g/mol
Exact Mass237.05
IUPAC Name1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine
SMILESNc1ccc(Nc2ccnc(Cl)c2)c(F)c1
InChIInChI=1S/C11H9ClFN3/c12-11-6-8(3-4-15-11)16-10-2-1-7(14)5-9(10)13/h1-6H,14H2,(H,15,16)
InChIKeyFIXDLINBNQEZKJ-UHFFFAOYSA-N
XLogP3.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.67
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2,4,5-trifluorophenyl)pyridin-4-amine
CID 102824187
2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine
CID 157044293
1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067195
1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067140
2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine
CID 102823905
N-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine
CID 102824403
N-(4-bromo-2-chlorophenyl)-2-chloropyridin-4-amine
CID 102824004
2-chloro-N-(4-chloro-2-iodophenyl)pyridin-4-amine
CID 107637140
3-N-(4-chloro-2-fluorophenyl)benzene-1,3-diamine
CID 61469504
2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine
CID 29067094
1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29080215
N-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine
CID 102824263

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine?
The IUPAC name of 1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine (CID 134408936) is 1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine?
The canonical SMILES for 1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine is Nc1ccc(Nc2ccnc(Cl)c2)c(F)c1.
What is the InChIKey of 1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine?
The InChIKey is FIXDLINBNQEZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3/c12-11-6-8(3-4-15-11)16-10-2-1-7(14)5-9(10)13/h1-6H,14H2,(H,15,16).
What are the key properties of 1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine?
1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine has a molecular weight of 237.67 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine is sourced from PubChem (CID 134408936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).