(3-chloro-4-pyridinyl) furan-2-carboxylate

C10H6ClNO3 — CID 23182895

IUPAC(3-chloro-4-pyridinyl) furan-2-carboxylate
SMILESO=C(Oc1ccncc1Cl)c1ccco1
InChIInChI=1S/C10H6ClNO3/c11-7-6-12-4-3-8(7)15-10(13)9-2-1-5-14-9/h1-6H
InChIKeyHUZKESWCZGEISL-UHFFFAOYSA-N
MW223.62 g/mol
LogP2.55
Rot. Bonds2

About (3-chloro-4-pyridinyl) furan-2-carboxylate

(3-chloro-4-pyridinyl) furan-2-carboxylate (PubChem CID 23182895) has the molecular formula C10H6ClNO3 and a molecular weight of 223.62 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl) furan-2-carboxylate.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl) furan-2-carboxylate
PubChem CID23182895
Molecular FormulaC10H6ClNO3
Molecular Weight223.62 g/mol
Exact Mass223.00
IUPAC Name(3-chloro-4-pyridinyl) furan-2-carboxylate
SMILESO=C(Oc1ccncc1Cl)c1ccco1
InChIInChI=1S/C10H6ClNO3/c11-7-6-12-4-3-8(7)15-10(13)9-2-1-5-14-9/h1-6H
InChIKeyHUZKESWCZGEISL-UHFFFAOYSA-N
XLogP2.55
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dichlorophenyl) furan-2-carboxylate
CID 3880755
(3,5-dichloro-2-pyridinyl) furan-2-carboxylate
CID 50876798
(2,3,4,6-tetrachlorophenyl) furan-2-carboxylate
CID 91700579
furan-2-carboxylic acid;pyrazine
CID 158159204
[2-(furan-2-carbonylamino)-3-pyridinyl] furan-2-carboxylate
CID 17018639
[1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate
CID 140844723
(5-hydroxynaphthalen-1-yl) furan-2-carboxylate
CID 7314053
[5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate
CID 4534837
(2-chloro-4-formyl-6-methoxyphenyl) furan-2-carboxylate
CID 974648
chlorosyl furan-2-carboxylate
CID 154376053
(2-oxo-1H-pyridin-3-yl) furan-2-carboxylate
CID 44583499
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide
CID 20897090

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl) furan-2-carboxylate?
The IUPAC name of (3-chloro-4-pyridinyl) furan-2-carboxylate (CID 23182895) is (3-chloro-4-pyridinyl) furan-2-carboxylate.
What is the SMILES notation for (3-chloro-4-pyridinyl) furan-2-carboxylate?
The canonical SMILES for (3-chloro-4-pyridinyl) furan-2-carboxylate is O=C(Oc1ccncc1Cl)c1ccco1.
What is the InChIKey of (3-chloro-4-pyridinyl) furan-2-carboxylate?
The InChIKey is HUZKESWCZGEISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3/c11-7-6-12-4-3-8(7)15-10(13)9-2-1-5-14-9/h1-6H.
What are the key properties of (3-chloro-4-pyridinyl) furan-2-carboxylate?
(3-chloro-4-pyridinyl) furan-2-carboxylate has a molecular weight of 223.62 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl) furan-2-carboxylate is sourced from PubChem (CID 23182895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).