3-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-pyridinyl]phenol

C21H14ClNO2 — CID 155551932

IUPAC3-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccco3)n2)c1
InChIInChI=1S/C21H14ClNO2/c22-17-8-6-14(7-9-17)16-12-19(15-3-1-4-18(24)11-15)23-20(13-16)21-5-2-10-25-21/h1-13,24H
InChIKeyFDOUSYRZQPTPIG-UHFFFAOYSA-N
MW347.80 g/mol
LogP6.03
Rot. Bonds3

About 3-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-pyridinyl]phenol

3-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-pyridinyl]phenol (PubChem CID 155551932) has the molecular formula C21H14ClNO2 and a molecular weight of 347.80 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-pyridinyl]phenol
PubChem CID155551932
Molecular FormulaC21H14ClNO2
Molecular Weight347.80 g/mol
Exact Mass347.07
IUPAC Name3-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccco3)n2)c1
InChIInChI=1S/C21H14ClNO2/c22-17-8-6-14(7-9-17)16-12-19(15-3-1-4-18(24)11-15)23-20(13-16)21-5-2-10-25-21/h1-13,24H
InChIKeyFDOUSYRZQPTPIG-UHFFFAOYSA-N
XLogP6.03
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.80
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-(Furan-2-yl)-4-phenyl-2-pyridinyl]phenol
CID 46887133
6-[2-(5-Chloro-2-phenylmethoxyphenyl)phenyl]pyridine-2-carboxylic acid
CID 10454544
4-[2-(Furan-2-yl)-6-phenyl-4-pyridinyl]phenol
CID 135981250
3-[5-(4-chlorophenyl)-1-(2-furylmethyl)-1H-pyrrol-2-yl]propanoic acid
CID 893940
2-Amino-4-(4-chloro-phenyl)-6-furan-2-yl-nicotinonitrile
CID 24950372
2-(furan-2-yl)-4-phenyl-5H-chromeno[4,3-b]pyridine
CID 53361436
3-[4-(furan-3-yl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
CID 122183825
3-[6-(2-Chlorophenyl)-4-(furan-2-yl)-2-pyridinyl]phenol
CID 127033530
3-[6-(3-Chlorophenyl)-4-(furan-2-yl)-2-pyridinyl]phenol
CID 127033531
2-[4-(Furan-2-yl)-6-(3-hydroxyphenyl)-2-pyridinyl]phenol
CID 137091027
3-[4-(Furan-2-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol
CID 137091029
3-[4-(Furan-3-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol
CID 137091033

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-pyridinyl]phenol?
The IUPAC name of 3-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-pyridinyl]phenol (CID 155551932) is 3-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-pyridinyl]phenol.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-pyridinyl]phenol?
The canonical SMILES for 3-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-pyridinyl]phenol is Oc1cccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccco3)n2)c1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-pyridinyl]phenol?
The InChIKey is FDOUSYRZQPTPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO2/c22-17-8-6-14(7-9-17)16-12-19(15-3-1-4-18(24)11-15)23-20(13-16)21-5-2-10-25-21/h1-13,24H.
What are the key properties of 3-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-pyridinyl]phenol?
3-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-pyridinyl]phenol has a molecular weight of 347.80 g/mol, XLogP of 6.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-pyridinyl]phenol is sourced from PubChem (CID 155551932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).