N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine

C13H10Br2N4O — CID 62085914

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
SMILESBrc1cc(CNc2cccnc2-n2cccn2)oc1Br
InChIInChI=1S/C13H10Br2N4O/c14-10-7-9(20-12(10)15)8-17-11-3-1-4-16-13(11)19-6-2-5-18-19/h1-7,17H,8H2
InChIKeyBULDOPFJQPMSME-UHFFFAOYSA-N
MW398.06 g/mol
LogP4.00
Rot. Bonds4

About N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine

N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine (PubChem CID 62085914) has the molecular formula C13H10Br2N4O and a molecular weight of 398.06 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
PubChem CID62085914
Molecular FormulaC13H10Br2N4O
Molecular Weight398.06 g/mol
Exact Mass395.92
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
SMILESBrc1cc(CNc2cccnc2-n2cccn2)oc1Br
InChIInChI=1S/C13H10Br2N4O/c14-10-7-9(20-12(10)15)8-17-11-3-1-4-16-13(11)19-6-2-5-18-19/h1-7,17H,8H2
InChIKeyBULDOPFJQPMSME-UHFFFAOYSA-N
XLogP4.00
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.06
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 654251
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CID 16654419
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CID 47052518
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CID 5304683
CID 5304683
CID 3608142
CID 3608142
CID 30867976
CID 30867976
CID 87054153
CID 87054153
CID 60179938
CID 60179938
CID 71924074
CID 71924074
CID 75376065
CID 75376065
CID 99775115
CID 99775115
CID 178114315
CID 178114315

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine (CID 62085914) is N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine is Brc1cc(CNc2cccnc2-n2cccn2)oc1Br.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine?
The InChIKey is BULDOPFJQPMSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N4O/c14-10-7-9(20-12(10)15)8-17-11-3-1-4-16-13(11)19-6-2-5-18-19/h1-7,17H,8H2.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine?
N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine has a molecular weight of 398.06 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine is sourced from PubChem (CID 62085914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).