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

C33H27Br2ClF4N4O6 — CID 157401022

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;methane
SMILESC.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
InChIInChI=1S/C16H11BrF2N2O3.C11H7ClF2O3.C5H5BrN2.CH4/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);1H4
InChIKeyBNDWQJBPYDTWTR-UHFFFAOYSA-N
MW846.85 g/mol
LogP8.70
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;methane

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 (PubChem CID 157401022) has the molecular formula C33H27Br2ClF4N4O6 and a molecular weight of 846.85 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;methane.

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;methane
PubChem CID157401022
Molecular FormulaC33H27Br2ClF4N4O6
Molecular Weight846.85 g/mol
Exact Mass843.99
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;methane
SMILESC.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
InChIInChI=1S/C16H11BrF2N2O3.C11H7ClF2O3.C5H5BrN2.CH4/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);1H4
InChIKeyBNDWQJBPYDTWTR-UHFFFAOYSA-N
XLogP8.70
TPSA134.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.85
LogP ≤ 58.70
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;methane 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-(benzylamino)-5-methylpyridin-2-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide
CID 57895128
N-[6-[3-(1-aminocyclopropyl)phenyl]-5-methylpyridin-2-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 59165795
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-ethyl-6-phenylpyridin-2-yl)cyclopropane-1-carboxamide
CID 59166040
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
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-methyl-6-phenylpyridin-2-yl)cyclopropane-1-carboxamide
CID 59166149
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(4-methyl-6-phenylpyridin-2-yl)cyclopropane-1-carboxamide
CID 59166272
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(1-methylcyclopropyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 68214672

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;methane?
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;methane (CID 157401022) 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;methane.
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;methane?
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;methane is C.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;methane?
The InChIKey is BNDWQJBPYDTWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF2N2O3.C11H7ClF2O3.C5H5BrN2.CH4/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);1H4.
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;methane?
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 has a molecular weight of 846.85 g/mol, XLogP of 8.70, 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;methane is sourced from PubChem (CID 157401022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).