4-bromo-1-[(2,6-dichlorophenyl)methyl]-3-iodopyrazole

C10H6BrCl2IN2 — CID 79784613

IUPAC4-bromo-1-[(2,6-dichlorophenyl)methyl]-3-iodopyrazole
SMILESClc1cccc(Cl)c1Cn1cc(Br)c(I)n1
InChIInChI=1S/C10H6BrCl2IN2/c11-7-5-16(15-10(7)14)4-6-8(12)2-1-3-9(6)13/h1-3,5H,4H2
InChIKeyIOUSUKQHRHDQAK-UHFFFAOYSA-N
MW431.89 g/mol
LogP4.61
Rot. Bonds2

About 4-bromo-1-[(2,6-dichlorophenyl)methyl]-3-iodopyrazole

4-bromo-1-[(2,6-dichlorophenyl)methyl]-3-iodopyrazole (PubChem CID 79784613) has the molecular formula C10H6BrCl2IN2 and a molecular weight of 431.89 g/mol. Its IUPAC name is 4-bromo-1-[(2,6-dichlorophenyl)methyl]-3-iodopyrazole.

Molecular Properties

Compound Name4-bromo-1-[(2,6-dichlorophenyl)methyl]-3-iodopyrazole
PubChem CID79784613
Molecular FormulaC10H6BrCl2IN2
Molecular Weight431.89 g/mol
Exact Mass429.81
IUPAC Name4-bromo-1-[(2,6-dichlorophenyl)methyl]-3-iodopyrazole
SMILESClc1cccc(Cl)c1Cn1cc(Br)c(I)n1
InChIInChI=1S/C10H6BrCl2IN2/c11-7-5-16(15-10(7)14)4-6-8(12)2-1-3-9(6)13/h1-3,5H,4H2
InChIKeyIOUSUKQHRHDQAK-UHFFFAOYSA-N
XLogP4.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.89
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-[(2,6-dichlorophenyl)methyl]-3-nitropyrazole
CID 2992129
4-bromo-1-[(4-bromophenyl)methyl]-3-iodopyrazole
CID 79784994
4-bromo-3-iodo-1-[(4-propan-2-ylphenyl)methyl]pyrazole
CID 79784426
4-bromo-3-iodo-1-[(3-methylphenyl)methyl]pyrazole
CID 79784801
1-[(3-bromophenyl)methyl]-4-chloro-3-iodopyrazole
CID 79784977
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206103
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19287405
1-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19397134
1-[(2,6-dichlorophenyl)methyl]-3-[(2,6-dichlorophenyl)methylamino]pyrazole-4-carbonitrile
CID 110171143
1-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dichlorophenyl)thiourea
CID 4772093
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide
CID 19287277
4-chloro-1-[(4-ethylphenyl)methyl]-3-iodopyrazole
CID 79785537

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(2,6-dichlorophenyl)methyl]-3-iodopyrazole?
The IUPAC name of 4-bromo-1-[(2,6-dichlorophenyl)methyl]-3-iodopyrazole (CID 79784613) is 4-bromo-1-[(2,6-dichlorophenyl)methyl]-3-iodopyrazole.
What is the SMILES notation for 4-bromo-1-[(2,6-dichlorophenyl)methyl]-3-iodopyrazole?
The canonical SMILES for 4-bromo-1-[(2,6-dichlorophenyl)methyl]-3-iodopyrazole is Clc1cccc(Cl)c1Cn1cc(Br)c(I)n1.
What is the InChIKey of 4-bromo-1-[(2,6-dichlorophenyl)methyl]-3-iodopyrazole?
The InChIKey is IOUSUKQHRHDQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2IN2/c11-7-5-16(15-10(7)14)4-6-8(12)2-1-3-9(6)13/h1-3,5H,4H2.
What are the key properties of 4-bromo-1-[(2,6-dichlorophenyl)methyl]-3-iodopyrazole?
4-bromo-1-[(2,6-dichlorophenyl)methyl]-3-iodopyrazole has a molecular weight of 431.89 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(2,6-dichlorophenyl)methyl]-3-iodopyrazole is sourced from PubChem (CID 79784613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).