2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine

C18H9BrF2N2 — CID 140898202

IUPAC2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine
SMILES[C-]#[N+]c1cc(Br)cc(-c2cc(-c3ccc(F)cc3F)ccn2)c1
InChIInChI=1S/C18H9BrF2N2/c1-22-15-7-12(6-13(19)9-15)18-8-11(4-5-23-18)16-3-2-14(20)10-17(16)21/h2-10H
InChIKeyAOFUJKWVTYXKCP-UHFFFAOYSA-N
MW371.18 g/mol
LogP6.01
Rot. Bonds2

About 2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine

2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine (PubChem CID 140898202) has the molecular formula C18H9BrF2N2 and a molecular weight of 371.18 g/mol. Its IUPAC name is 2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine.

Molecular Properties

Compound Name2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine
PubChem CID140898202
Molecular FormulaC18H9BrF2N2
Molecular Weight371.18 g/mol
Exact Mass369.99
IUPAC Name2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine
SMILES[C-]#[N+]c1cc(Br)cc(-c2cc(-c3ccc(F)cc3F)ccn2)c1
InChIInChI=1S/C18H9BrF2N2/c1-22-15-7-12(6-13(19)9-15)18-8-11(4-5-23-18)16-3-2-14(20)10-17(16)21/h2-10H
InChIKeyAOFUJKWVTYXKCP-UHFFFAOYSA-N
XLogP6.01
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.18
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Brompheniramine
CID 6834
Dexbrompheniramine
CID 16960
2-(4-Bromophenyl)-5-pentylpyridine
CID 3092175
1-[3-Bromo-5-(trifluoromethyl)phenyl]-3-(4-pyridin-3-ylphenyl)urea
CID 122180042
(-)-Brompheniramine
CID 6328079
2-(4-Bromophenyl)pyridine
CID 1515237
2-(3-Bromophenyl)pyridine
CID 11115506
2-(2-Bromophenyl)pyridine
CID 13223929
[3-(3-Bromo-phenyl)-3-pyridin-3-yl-allyl]-dimethyl-amine
CID 20478929
4-[5-(4-Bromo-phenyl)-2-(4-fluoro-phenyl)-1H-pyrrol-3-yl]-pyridine
CID 44324219
3-(3-Bromophenyl)quinoline
CID 19889421
(E)-4-(3-(4-bromostyryl)-5-fluorophenyl)pyridine
CID 121481820

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine?
The IUPAC name of 2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine (CID 140898202) is 2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine.
What is the SMILES notation for 2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine?
The canonical SMILES for 2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine is [C-]#[N+]c1cc(Br)cc(-c2cc(-c3ccc(F)cc3F)ccn2)c1.
What is the InChIKey of 2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine?
The InChIKey is AOFUJKWVTYXKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9BrF2N2/c1-22-15-7-12(6-13(19)9-15)18-8-11(4-5-23-18)16-3-2-14(20)10-17(16)21/h2-10H.
What are the key properties of 2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine?
2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine has a molecular weight of 371.18 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine is sourced from PubChem (CID 140898202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).