4-(6-bromo-3-pyridinyl)-2-fluorobenzenecarboximidamide

C12H9BrFN3 — CID 171526804

IUPAC4-(6-bromo-3-pyridinyl)-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(Br)nc2)cc1F
InChIInChI=1S/C12H9BrFN3/c13-11-4-2-8(6-17-11)7-1-3-9(12(15)16)10(14)5-7/h1-6H,(H3,15,16)
InChIKeyDCYLNXKTJGURTR-UHFFFAOYSA-N
MW294.13 g/mol
LogP2.93
Rot. Bonds2

About 4-(6-bromo-3-pyridinyl)-2-fluorobenzenecarboximidamide

4-(6-bromo-3-pyridinyl)-2-fluorobenzenecarboximidamide (PubChem CID 171526804) has the molecular formula C12H9BrFN3 and a molecular weight of 294.13 g/mol. Its IUPAC name is 4-(6-bromo-3-pyridinyl)-2-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(6-bromo-3-pyridinyl)-2-fluorobenzenecarboximidamide
PubChem CID171526804
Molecular FormulaC12H9BrFN3
Molecular Weight294.13 g/mol
Exact Mass293.00
IUPAC Name4-(6-bromo-3-pyridinyl)-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(Br)nc2)cc1F
InChIInChI=1S/C12H9BrFN3/c13-11-4-2-8(6-17-11)7-1-3-9(12(15)16)10(14)5-7/h1-6H,(H3,15,16)
InChIKeyDCYLNXKTJGURTR-UHFFFAOYSA-N
XLogP2.93
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-(6-bromo-3-pyridinyl)-2-fluorobenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5-(4-carbamimidoyl-3-fluorophenyl)thiophen-2-yl]thiophene-2-carboximidamide
CID 163360794
2-amino-4-(3-fluoro-4-hydroxyphenyl)benzenecarboximidamide
CID 143262003
6-(6-bromo-3-pyridinyl)pyridine-3-carboximidamide
CID 171526735
4-(3,4-difluorophenyl)benzenecarboximidamide
CID 15114042
methyl 3-[[5-(4-carbamimidoyl-3-fluorophenyl)-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoate
CID 67973350
2,4,5-trifluorobenzenecarboximidamide;hydrochloride
CID 53407269
2-amino-4-fluorobenzenecarboximidamide
CID 140514748
methyl 6-[4-(4-carbamimidoyl-3-fluorophenyl)phenoxy]hexanoate;hydrochloride
CID 67576291
2-chloro-4-fluorobenzenecarboximidamide
CID 3626359
3-[2-(4-carbamimidoyl-3-fluorophenyl)phenyl]-N-(diaminomethylidene)-2-methylprop-2-enamide
CID 76705022
6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide
CID 82452729
2-fluoro-4-(1-methylsulfanylethyl)benzenecarboximidamide
CID 174363276

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-3-pyridinyl)-2-fluorobenzenecarboximidamide?
The IUPAC name of 4-(6-bromo-3-pyridinyl)-2-fluorobenzenecarboximidamide (CID 171526804) is 4-(6-bromo-3-pyridinyl)-2-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-(6-bromo-3-pyridinyl)-2-fluorobenzenecarboximidamide?
The canonical SMILES for 4-(6-bromo-3-pyridinyl)-2-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(Br)nc2)cc1F.
What is the InChIKey of 4-(6-bromo-3-pyridinyl)-2-fluorobenzenecarboximidamide?
The InChIKey is DCYLNXKTJGURTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3/c13-11-4-2-8(6-17-11)7-1-3-9(12(15)16)10(14)5-7/h1-6H,(H3,15,16).
What are the key properties of 4-(6-bromo-3-pyridinyl)-2-fluorobenzenecarboximidamide?
4-(6-bromo-3-pyridinyl)-2-fluorobenzenecarboximidamide has a molecular weight of 294.13 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-3-pyridinyl)-2-fluorobenzenecarboximidamide is sourced from PubChem (CID 171526804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).