4-(3-chlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,4-dichlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile

C38H25Cl3N4O2 — CID 143622578

IUPAC4-(3-chlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,4-dichlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile
SMILESCc1nc(-c2ccc(O)cc2)cc(-c2ccc(Cl)cc2Cl)c1C#N.Cc1nc(-c2ccc(O)cc2)cc(-c2cccc(Cl)c2)c1C#N
InChIInChI=1S/C19H12Cl2N2O.C19H13ClN2O/c1-11-17(10-22)16(15-7-4-13(20)8-18(15)21)9-19(23-11)12-2-5-14(24)6-3-12;1-12-18(11-21)17(14-3-2-4-15(20)9-14)10-19(22-12)13-5-7-16(23)8-6-13/h2-9,24H,1H3;2-10,23H,1H3
InChIKeyPGPUYMWXZAWQSQ-UHFFFAOYSA-N
MW676.00 g/mol
LogP10.56
Rot. Bonds4

About 4-(3-chlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,4-dichlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile

4-(3-chlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,4-dichlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile (PubChem CID 143622578) has the molecular formula C38H25Cl3N4O2 and a molecular weight of 676.00 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,4-dichlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,4-dichlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile
PubChem CID143622578
Molecular FormulaC38H25Cl3N4O2
Molecular Weight676.00 g/mol
Exact Mass674.10
IUPAC Name4-(3-chlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,4-dichlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile
SMILESCc1nc(-c2ccc(O)cc2)cc(-c2ccc(Cl)cc2Cl)c1C#N.Cc1nc(-c2ccc(O)cc2)cc(-c2cccc(Cl)c2)c1C#N
InChIInChI=1S/C19H12Cl2N2O.C19H13ClN2O/c1-11-17(10-22)16(15-7-4-13(20)8-18(15)21)9-19(23-11)12-2-5-14(24)6-3-12;1-12-18(11-21)17(14-3-2-4-15(20)9-14)10-19(22-12)13-5-7-16(23)8-6-13/h2-9,24H,1H3;2-10,23H,1H3
InChIKeyPGPUYMWXZAWQSQ-UHFFFAOYSA-N
XLogP10.56
TPSA113.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.00
LogP ≤ 510.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(4-Chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol
CID 136661235
4-[6-(3-Chlorophenyl)-4-phenyl-2-pyridinyl]phenol
CID 137175163
3-[4-(4-Chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol
CID 137632314
4-[4-(2-Chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol
CID 137640215
3-[4-(2-Chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol
CID 137646400
3-[4-(3-Chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol
CID 137650438
4-[2-(2-Chlorophenyl)-6-phenyl-4-pyridinyl]phenol
CID 136043217
4-[2-(3-Chlorophenyl)-6-phenyl-4-pyridinyl]phenol
CID 136043224
4-[2-(4-Chlorophenyl)-6-phenyl-4-pyridinyl]phenol
CID 136043233
4-[6-(2-Chlorophenyl)-4-phenyl-2-pyridinyl]phenol
CID 137175162
4-[6-(4-Chlorophenyl)-4-phenyl-2-pyridinyl]phenol
CID 137175164
2-[4-(3-Chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol
CID 137632721

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,4-dichlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile?
The IUPAC name of 4-(3-chlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,4-dichlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile (CID 143622578) is 4-(3-chlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,4-dichlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-chlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,4-dichlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 4-(3-chlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,4-dichlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile is Cc1nc(-c2ccc(O)cc2)cc(-c2ccc(Cl)cc2Cl)c1C#N.Cc1nc(-c2ccc(O)cc2)cc(-c2cccc(Cl)c2)c1C#N.
What is the InChIKey of 4-(3-chlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,4-dichlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile?
The InChIKey is PGPUYMWXZAWQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O.C19H13ClN2O/c1-11-17(10-22)16(15-7-4-13(20)8-18(15)21)9-19(23-11)12-2-5-14(24)6-3-12;1-12-18(11-21)17(14-3-2-4-15(20)9-14)10-19(22-12)13-5-7-16(23)8-6-13/h2-9,24H,1H3;2-10,23H,1H3.
What are the key properties of 4-(3-chlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,4-dichlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile?
4-(3-chlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,4-dichlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile has a molecular weight of 676.00 g/mol, XLogP of 10.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,4-dichlorophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 143622578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).