6-bromopyridin-2-amine;N-(6-bromo-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

C32H23Br2ClF4N4O6 — CID 159961038

IUPAC6-bromopyridin-2-amine;N-(6-bromo-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
SMILESNc1cccc(Br)n1.O=C(Cl)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=C(Nc1cccc(Br)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C16H11BrF2N2O3.C11H7ClF2O3.C5H5BrN2/c17-12-2-1-3-13(20-12)21-14(22)15(6-7-15)9-4-5-10-11(8-9)24-16(18,19)23-10;12-9(15)10(3-4-10)6-1-2-7-8(5-6)17-11(13,14)16-7;6-4-2-1-3-5(7)8-4/h1-5,8H,6-7H2,(H,20,21,22);1-2,5H,3-4H2;1-3H,(H2,7,8)
InChIKeyODIHEMLBYFSJMP-UHFFFAOYSA-N
MW830.81 g/mol
LogP8.07
Rot. Bonds5

About 6-bromopyridin-2-amine;N-(6-bromo-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-bromopyridin-2-amine;N-(6-bromo-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 159961038) has the molecular formula C32H23Br2ClF4N4O6 and a molecular weight of 830.81 g/mol. Its IUPAC name is 6-bromopyridin-2-amine;N-(6-bromo-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-bromopyridin-2-amine;N-(6-bromo-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 CID159961038
Molecular FormulaC32H23Br2ClF4N4O6
Molecular Weight830.81 g/mol
Exact Mass827.96
IUPAC Name6-bromopyridin-2-amine;N-(6-bromo-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
SMILESNc1cccc(Br)n1.O=C(Cl)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=C(Nc1cccc(Br)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C16H11BrF2N2O3.C11H7ClF2O3.C5H5BrN2/c17-12-2-1-3-13(20-12)21-14(22)15(6-7-15)9-4-5-10-11(8-9)24-16(18,19)23-10;12-9(15)10(3-4-10)6-1-2-7-8(5-6)17-11(13,14)16-7;6-4-2-1-3-5(7)8-4/h1-5,8H,6-7H2,(H,20,21,22);1-2,5H,3-4H2;1-3H,(H2,7,8)
InChIKeyODIHEMLBYFSJMP-UHFFFAOYSA-N
XLogP8.07
TPSA134.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.81
LogP ≤ 58.07
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-bromopyridin-2-amine;N-(6-bromo-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-(6-Bromo-5-methoxypyridin-2-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide
CID 59165869
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[6-(trifluoromethyl)pyridin-2-yl]pyridin-2-yl]cyclopropane-1-carboxamide
CID 59166075
N-(5-chloro-6-phenylpyridin-2-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 59166126
1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(2'-methoxy-3,6'-dimethyl-2,4'-bipyridin-6-yl)cyclopropanecarboxamide
CID 68737823
1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)-n-(6'-methoxy-2',3-dimethyl-2,3'-bipyridin-6-yl)cyclopropanecarboxamide
CID 68741796
1-(2,2-difluorobenzo [d][1,3]dioxol-5-yl)-N-(6'-methoxy-2',4-dimethyl-2,3'-bipyridin-6-yl)cyclopropanecarboxamide
CID 68794184
1-(2,2-difluorobenzo [d][1,3]dioxol-5-yl)-N-(6'-methoxy-2',3,4-trimethyl-2,3'-bipyridin-6-yl)cyclopropanecarboxamide
CID 71053038
N-[6-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 87282755

Frequently Asked Questions

What is the IUPAC name of 6-bromopyridin-2-amine;N-(6-bromo-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-bromopyridin-2-amine;N-(6-bromo-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 159961038) is 6-bromopyridin-2-amine;N-(6-bromo-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-bromopyridin-2-amine;N-(6-bromo-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-bromopyridin-2-amine;N-(6-bromo-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 Nc1cccc(Br)n1.O=C(Cl)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=C(Nc1cccc(Br)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.
What is the InChIKey of 6-bromopyridin-2-amine;N-(6-bromo-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 ODIHEMLBYFSJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF2N2O3.C11H7ClF2O3.C5H5BrN2/c17-12-2-1-3-13(20-12)21-14(22)15(6-7-15)9-4-5-10-11(8-9)24-16(18,19)23-10;12-9(15)10(3-4-10)6-1-2-7-8(5-6)17-11(13,14)16-7;6-4-2-1-3-5(7)8-4/h1-5,8H,6-7H2,(H,20,21,22);1-2,5H,3-4H2;1-3H,(H2,7,8).
What are the key properties of 6-bromopyridin-2-amine;N-(6-bromo-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-bromopyridin-2-amine;N-(6-bromo-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 830.81 g/mol, XLogP of 8.07, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyridin-2-amine;N-(6-bromo-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 159961038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).