(3,5-dichloro-2-pyridinyl) furan-2-carboxylate

C10H5Cl2NO3 — CID 50876798

IUPAC(3,5-dichloro-2-pyridinyl) furan-2-carboxylate
SMILESO=C(Oc1ncc(Cl)cc1Cl)c1ccco1
InChIInChI=1S/C10H5Cl2NO3/c11-6-4-7(12)9(13-5-6)16-10(14)8-2-1-3-15-8/h1-5H
InChIKeyLFYMUNPGOKCYPE-UHFFFAOYSA-N
MW258.06 g/mol
LogP3.20
Rot. Bonds2

About (3,5-dichloro-2-pyridinyl) furan-2-carboxylate

(3,5-dichloro-2-pyridinyl) furan-2-carboxylate (PubChem CID 50876798) has the molecular formula C10H5Cl2NO3 and a molecular weight of 258.06 g/mol. Its IUPAC name is (3,5-dichloro-2-pyridinyl) furan-2-carboxylate.

Molecular Properties

Compound Name(3,5-dichloro-2-pyridinyl) furan-2-carboxylate
PubChem CID50876798
Molecular FormulaC10H5Cl2NO3
Molecular Weight258.06 g/mol
Exact Mass256.96
IUPAC Name(3,5-dichloro-2-pyridinyl) furan-2-carboxylate
SMILESO=C(Oc1ncc(Cl)cc1Cl)c1ccco1
InChIInChI=1S/C10H5Cl2NO3/c11-6-4-7(12)9(13-5-6)16-10(14)8-2-1-3-15-8/h1-5H
InChIKeyLFYMUNPGOKCYPE-UHFFFAOYSA-N
XLogP3.20
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dichlorophenyl) furan-2-carboxylate
CID 3880755
(3-chloro-4-pyridinyl) furan-2-carboxylate
CID 23182895
(2,3,4,6-tetrachlorophenyl) furan-2-carboxylate
CID 91700579
3,5-dichloro-N-[1-(furan-2-yl)ethylideneamino]pyridin-2-amine
CID 4833509
2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid
CID 61398001
[1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate
CID 140844723
[5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate
CID 4534837
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 16533726
1H-indazol-6-yl furan-2-carboxylate
CID 71857506
[1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] furan-2-carboxylate
CID 42727911
6-chlorohexyl furan-2-carboxylate
CID 91704997
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 2386762

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-pyridinyl) furan-2-carboxylate?
The IUPAC name of (3,5-dichloro-2-pyridinyl) furan-2-carboxylate (CID 50876798) is (3,5-dichloro-2-pyridinyl) furan-2-carboxylate.
What is the SMILES notation for (3,5-dichloro-2-pyridinyl) furan-2-carboxylate?
The canonical SMILES for (3,5-dichloro-2-pyridinyl) furan-2-carboxylate is O=C(Oc1ncc(Cl)cc1Cl)c1ccco1.
What is the InChIKey of (3,5-dichloro-2-pyridinyl) furan-2-carboxylate?
The InChIKey is LFYMUNPGOKCYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO3/c11-6-4-7(12)9(13-5-6)16-10(14)8-2-1-3-15-8/h1-5H.
What are the key properties of (3,5-dichloro-2-pyridinyl) furan-2-carboxylate?
(3,5-dichloro-2-pyridinyl) furan-2-carboxylate has a molecular weight of 258.06 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-pyridinyl) furan-2-carboxylate is sourced from PubChem (CID 50876798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).