[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate

C12H7BrCl2N2O4 — CID 2375592

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESO=C(COC(=O)c1ccc(Br)o1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H7BrCl2N2O4/c13-9-2-1-8(21-9)12(19)20-5-10(18)17-11-7(15)3-6(14)4-16-11/h1-4H,5H2,(H,16,17,18)
InChIKeyWAVYHQRQRNBQCU-UHFFFAOYSA-N
MW394.01 g/mol
LogP3.54
Rot. Bonds4

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate (PubChem CID 2375592) has the molecular formula C12H7BrCl2N2O4 and a molecular weight of 394.01 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
PubChem CID2375592
Molecular FormulaC12H7BrCl2N2O4
Molecular Weight394.01 g/mol
Exact Mass391.90
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESO=C(COC(=O)c1ccc(Br)o1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H7BrCl2N2O4/c13-9-2-1-8(21-9)12(19)20-5-10(18)17-11-7(15)3-6(14)4-16-11/h1-4H,5H2,(H,16,17,18)
InChIKeyWAVYHQRQRNBQCU-UHFFFAOYSA-N
XLogP3.54
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.01
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 5058874
2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl 2-furoate
CID 2586389
[1-[(5-Chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate
CID 3433652
[1-[(3,5-Dichloropyridin-2-yl)amino]-1-oxopropan-2-yl] furan-2-carboxylate
CID 16303347
5-[(2-bromophenoxy)methyl]-N-(5-chloropyridin-2-yl)furan-2-carboxamide
CID 1269634
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 2546642
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 5971779
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 6293013
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7879666
[2-[(3,5-dichloropyridin-2-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2381087
[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2406993
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 6077931

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate (CID 2375592) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate is O=C(COC(=O)c1ccc(Br)o1)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The InChIKey is WAVYHQRQRNBQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2N2O4/c13-9-2-1-8(21-9)12(19)20-5-10(18)17-11-7(15)3-6(14)4-16-11/h1-4H,5H2,(H,16,17,18).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate has a molecular weight of 394.01 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate is sourced from PubChem (CID 2375592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).