6-bromo-5-methoxypyridin-2-amine;N-(6-bromo-5-methoxy-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

C34H27Br2ClF4N4O8 — CID 159994957

IUPAC6-bromo-5-methoxypyridin-2-amine;N-(6-bromo-5-methoxy-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
SMILESCOc1ccc(N)nc1Br.COc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Br.O=C(Cl)C1(c2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C17H13BrF2N2O4.C11H7ClF2O3.C6H7BrN2O/c1-24-11-4-5-13(21-14(11)18)22-15(23)16(6-7-16)9-2-3-10-12(8-9)26-17(19,20)25-10;12-9(15)10(3-4-10)6-1-2-7-8(5-6)17-11(13,14)16-7;1-10-4-2-3-5(8)9-6(4)7/h2-5,8H,6-7H2,1H3,(H,21,22,23);1-2,5H,3-4H2;2-3H,1H3,(H2,8,9)
InChIKeyOHKQRBVHESZDBG-UHFFFAOYSA-N
MW890.86 g/mol
LogP8.08
Rot. Bonds7

About 6-bromo-5-methoxypyridin-2-amine;N-(6-bromo-5-methoxy-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-methoxypyridin-2-amine;N-(6-bromo-5-methoxy-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 159994957) has the molecular formula C34H27Br2ClF4N4O8 and a molecular weight of 890.86 g/mol. Its IUPAC name is 6-bromo-5-methoxypyridin-2-amine;N-(6-bromo-5-methoxy-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-methoxypyridin-2-amine;N-(6-bromo-5-methoxy-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 CID159994957
Molecular FormulaC34H27Br2ClF4N4O8
Molecular Weight890.86 g/mol
Exact Mass887.98
IUPAC Name6-bromo-5-methoxypyridin-2-amine;N-(6-bromo-5-methoxy-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
SMILESCOc1ccc(N)nc1Br.COc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Br.O=C(Cl)C1(c2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C17H13BrF2N2O4.C11H7ClF2O3.C6H7BrN2O/c1-24-11-4-5-13(21-14(11)18)22-15(23)16(6-7-16)9-2-3-10-12(8-9)26-17(19,20)25-10;12-9(15)10(3-4-10)6-1-2-7-8(5-6)17-11(13,14)16-7;1-10-4-2-3-5(8)9-6(4)7/h2-5,8H,6-7H2,1H3,(H,21,22,23);1-2,5H,3-4H2;2-3H,1H3,(H2,8,9)
InChIKeyOHKQRBVHESZDBG-UHFFFAOYSA-N
XLogP8.08
TPSA153.35 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500890.86
LogP ≤ 58.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 6-bromo-5-methoxypyridin-2-amine;N-(6-bromo-5-methoxy-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-(1-Bromoisoquinolin-3-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide
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N-(6-bromopyridin-2-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide
CID 59165834
N-(6-Bromo-5-methoxypyridin-2-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide
CID 59165869
N-(6-bromo-5-chloropyridin-2-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide
CID 89228864
N-(6-bromo-5-methylpyridin-2-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 117646407
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
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;methane
CID 157401022
N-[6-(cyclohexen-1-yl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(6-cyclohexyl-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;methanol
CID 157730286
6-chloro-4-methylpyridin-2-amine;N-(6-chloro-4-methyl-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 157987430
6-chloro-5-methylpyridin-2-amine;N-(6-chloro-5-methyl-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;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
CID 159281844
N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;cyclohexen-1-ylboronic acid;N-(6-cyclohexyl-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 159293138
6-amino-2-chloro-4-methylpyridine-3-carbonitrile;N-(6-chloro-5-cyano-4-methyl-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 159301607

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methoxypyridin-2-amine;N-(6-bromo-5-methoxy-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-methoxypyridin-2-amine;N-(6-bromo-5-methoxy-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 159994957) is 6-bromo-5-methoxypyridin-2-amine;N-(6-bromo-5-methoxy-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-methoxypyridin-2-amine;N-(6-bromo-5-methoxy-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-methoxypyridin-2-amine;N-(6-bromo-5-methoxy-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 COc1ccc(N)nc1Br.COc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Br.O=C(Cl)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.
What is the InChIKey of 6-bromo-5-methoxypyridin-2-amine;N-(6-bromo-5-methoxy-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 OHKQRBVHESZDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF2N2O4.C11H7ClF2O3.C6H7BrN2O/c1-24-11-4-5-13(21-14(11)18)22-15(23)16(6-7-16)9-2-3-10-12(8-9)26-17(19,20)25-10;12-9(15)10(3-4-10)6-1-2-7-8(5-6)17-11(13,14)16-7;1-10-4-2-3-5(8)9-6(4)7/h2-5,8H,6-7H2,1H3,(H,21,22,23);1-2,5H,3-4H2;2-3H,1H3,(H2,8,9).
What are the key properties of 6-bromo-5-methoxypyridin-2-amine;N-(6-bromo-5-methoxy-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-methoxypyridin-2-amine;N-(6-bromo-5-methoxy-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 890.86 g/mol, XLogP of 8.08, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methoxypyridin-2-amine;N-(6-bromo-5-methoxy-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 159994957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).