(5-chlorobenzotriazol-1-yl)-(furan-2-yl)methanone

C11H6ClN3O2 — CID 3127208

IUPAC(5-chlorobenzotriazol-1-yl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)n1nnc2cc(Cl)ccc21
InChIInChI=1S/C11H6ClN3O2/c12-7-3-4-9-8(6-7)13-14-15(9)11(16)10-2-1-5-17-10/h1-6H
InChIKeyAQHFMOQQOWASMK-UHFFFAOYSA-N
MW247.64 g/mol
LogP2.37
Rot. Bonds1

About (5-chlorobenzotriazol-1-yl)-(furan-2-yl)methanone

(5-chlorobenzotriazol-1-yl)-(furan-2-yl)methanone (PubChem CID 3127208) has the molecular formula C11H6ClN3O2 and a molecular weight of 247.64 g/mol. Its IUPAC name is (5-chlorobenzotriazol-1-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(5-chlorobenzotriazol-1-yl)-(furan-2-yl)methanone
PubChem CID3127208
Molecular FormulaC11H6ClN3O2
Molecular Weight247.64 g/mol
Exact Mass247.01
IUPAC Name(5-chlorobenzotriazol-1-yl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)n1nnc2cc(Cl)ccc21
InChIInChI=1S/C11H6ClN3O2/c12-7-3-4-9-8(6-7)13-14-15(9)11(16)10-2-1-5-17-10/h1-6H
InChIKeyAQHFMOQQOWASMK-UHFFFAOYSA-N
XLogP2.37
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.64
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Furoyl)-1H-benzotriazole
CID 792914
(4-Benzotriazol-1-yl-piperidin-1-yl)-furan-2-yl-methanone
CID 652257
N-(6-chloro-2-phenyl-2H-benzotriazol-5-yl)furan-2-carboxamide
CID 851527
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
CID 2034766
Benzotriazol-1-yl-(5-bromofuran-2-yl)methanone
CID 871570
N-[2-(3-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]-2-furamide
CID 711731
2-(6-chlorobenzotriazol-1-yl)oxy-N-(furan-2-ylmethyl)acetamide
CID 8893201
N~2~-[2-(4-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]-2-furamide
CID 24152005
2-(Benzotriazol-1-ylmethyl)furan
CID 3724645
(2E)-1-(1H-1,2,3-Benzotriazol-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 5736958
N-[(2S)-1-(1,2,3-Benzotriazol-1-YL)propan-2-YL]furan-2-carboxamide
CID 16671577
N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]furan-2-carboxamide
CID 16671617

Frequently Asked Questions

What is the IUPAC name of (5-chlorobenzotriazol-1-yl)-(furan-2-yl)methanone?
The IUPAC name of (5-chlorobenzotriazol-1-yl)-(furan-2-yl)methanone (CID 3127208) is (5-chlorobenzotriazol-1-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (5-chlorobenzotriazol-1-yl)-(furan-2-yl)methanone?
The canonical SMILES for (5-chlorobenzotriazol-1-yl)-(furan-2-yl)methanone is O=C(c1ccco1)n1nnc2cc(Cl)ccc21.
What is the InChIKey of (5-chlorobenzotriazol-1-yl)-(furan-2-yl)methanone?
The InChIKey is AQHFMOQQOWASMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O2/c12-7-3-4-9-8(6-7)13-14-15(9)11(16)10-2-1-5-17-10/h1-6H.
What are the key properties of (5-chlorobenzotriazol-1-yl)-(furan-2-yl)methanone?
(5-chlorobenzotriazol-1-yl)-(furan-2-yl)methanone has a molecular weight of 247.64 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorobenzotriazol-1-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 3127208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).