6-bromo-5-chloropyridin-2-amine;N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride

C32H21Br2Cl3F4N4O6 — CID 157369532

IUPAC6-bromo-5-chloropyridin-2-amine;N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride
SMILESNc1ccc(Cl)c(Br)n1.O=C(Cl)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=C(Nc1ccc(Cl)c(Br)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C16H10BrClF2N2O3.C11H7ClF2O3.C5H4BrClN2/c17-13-9(18)2-4-12(21-13)22-14(23)15(5-6-15)8-1-3-10-11(7-8)25-16(19,20)24-10;12-9(15)10(3-4-10)6-1-2-7-8(5-6)17-11(13,14)16-7;6-5-3(7)1-2-4(8)9-5/h1-4,7H,5-6H2,(H,21,22,23);1-2,5H,3-4H2;1-2H,(H2,8,9)
InChIKeyBJOZSLQGIPUZSS-UHFFFAOYSA-N
MW899.70 g/mol
LogP9.37
Rot. Bonds5

About 6-bromo-5-chloropyridin-2-amine;N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride

6-bromo-5-chloropyridin-2-amine;N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride (PubChem CID 157369532) has the molecular formula C32H21Br2Cl3F4N4O6 and a molecular weight of 899.70 g/mol. Its IUPAC name is 6-bromo-5-chloropyridin-2-amine;N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name6-bromo-5-chloropyridin-2-amine;N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride
PubChem CID157369532
Molecular FormulaC32H21Br2Cl3F4N4O6
Molecular Weight899.70 g/mol
Exact Mass895.88
IUPAC Name6-bromo-5-chloropyridin-2-amine;N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride
SMILESNc1ccc(Cl)c(Br)n1.O=C(Cl)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=C(Nc1ccc(Cl)c(Br)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C16H10BrClF2N2O3.C11H7ClF2O3.C5H4BrClN2/c17-13-9(18)2-4-12(21-13)22-14(23)15(5-6-15)8-1-3-10-11(7-8)25-16(19,20)24-10;12-9(15)10(3-4-10)6-1-2-7-8(5-6)17-11(13,14)16-7;6-5-3(7)1-2-4(8)9-5/h1-4,7H,5-6H2,(H,21,22,23);1-2,5H,3-4H2;1-2H,(H2,8,9)
InChIKeyBJOZSLQGIPUZSS-UHFFFAOYSA-N
XLogP9.37
TPSA134.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.70
LogP ≤ 59.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-bromo-5-chloropyridin-2-amine;N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride with MolForge

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Related Compounds

N-(6-chloro-5-methylpyridin-2-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide
CID 59165796
N-(1-Bromoisoquinolin-3-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide
CID 57732996
N-(6-bromopyridin-2-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide
CID 59165834
N-(6-chloro-5-ethylpyridin-2-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide
CID 59165835
N-(5-chloro-6-phenylpyridin-2-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 59166126
N-[6-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 87282755
n-(6-Chloro-4-methylpyridin-2-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide
CID 87555366
N-(6-chloro-4,5-dimethylpyridin-2-yl)-1-(2,2-difluorobenzo [d][1,3]dioxol-5-yl)cyclopropanecarboxamide
CID 89228784
N-(6-bromo-5-chloropyridin-2-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide
CID 89228864
N-(1-bromo-7,8-dihydroisoquinolin-3-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 89491207
N-(6-bromo-5-methylpyridin-2-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 117646407
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-methyl-6-methylchloranuidyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 149567304

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-chloropyridin-2-amine;N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride?
The IUPAC name of 6-bromo-5-chloropyridin-2-amine;N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride (CID 157369532) is 6-bromo-5-chloropyridin-2-amine;N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride.
What is the SMILES notation for 6-bromo-5-chloropyridin-2-amine;N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride?
The canonical SMILES for 6-bromo-5-chloropyridin-2-amine;N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride is Nc1ccc(Cl)c(Br)n1.O=C(Cl)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=C(Nc1ccc(Cl)c(Br)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.
What is the InChIKey of 6-bromo-5-chloropyridin-2-amine;N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride?
The InChIKey is BJOZSLQGIPUZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClF2N2O3.C11H7ClF2O3.C5H4BrClN2/c17-13-9(18)2-4-12(21-13)22-14(23)15(5-6-15)8-1-3-10-11(7-8)25-16(19,20)24-10;12-9(15)10(3-4-10)6-1-2-7-8(5-6)17-11(13,14)16-7;6-5-3(7)1-2-4(8)9-5/h1-4,7H,5-6H2,(H,21,22,23);1-2,5H,3-4H2;1-2H,(H2,8,9).
What are the key properties of 6-bromo-5-chloropyridin-2-amine;N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride?
6-bromo-5-chloropyridin-2-amine;N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride has a molecular weight of 899.70 g/mol, XLogP of 9.37, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-chloropyridin-2-amine;N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 157369532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).