2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol

C22H20ClFN2O — CID 137306802

IUPAC2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cc(-c3c(F)cccc3Cl)cc(N3CCCC3)n2)c1
InChIInChI=1S/C22H20ClFN2O/c1-14-7-8-20(27)16(11-14)19-12-15(22-17(23)5-4-6-18(22)24)13-21(25-19)26-9-2-3-10-26/h4-8,11-13,27H,2-3,9-10H2,1H3
InChIKeyNKNFSHQBANIPPX-UHFFFAOYSA-N
MW382.87 g/mol
LogP5.82
Rot. Bonds3

About 2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol

2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol (PubChem CID 137306802) has the molecular formula C22H20ClFN2O and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol.

Molecular Properties

Compound Name2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol
PubChem CID137306802
Molecular FormulaC22H20ClFN2O
Molecular Weight382.87 g/mol
Exact Mass382.12
IUPAC Name2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cc(-c3c(F)cccc3Cl)cc(N3CCCC3)n2)c1
InChIInChI=1S/C22H20ClFN2O/c1-14-7-8-20(27)16(11-14)19-12-15(22-17(23)5-4-6-18(22)24)13-21(25-19)26-9-2-3-10-26/h4-8,11-13,27H,2-3,9-10H2,1H3
InChIKeyNKNFSHQBANIPPX-UHFFFAOYSA-N
XLogP5.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.87
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(3-aminopyrrolidin-1-yl)-4-(2,6-dichlorophenyl)-2-pyridinyl]-4-fluorophenol
CID 137290828
4-bromo-2-[4-(2-chlorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]phenol
CID 137306828
4-chloro-2-[4-[2-(difluoromethoxy)phenyl]-6-pyrrolidin-1-yl-2-pyridinyl]phenol
CID 137306851
N-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide
CID 137290835
2-[4-(2-chloro-6-fluorophenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-5-methoxyphenol
CID 137307091
1-[3-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
CID 137290843
1-[4-(2,6-dichlorophenyl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]pyrrolidin-3-ol
CID 137290626
4-chloro-2-[4-(2-chloro-6-fluorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-5-methylphenol
CID 137306942
2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol
CID 137306796
1-[4-(1,3-benzodioxol-4-yl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]pyrrolidin-3-ol
CID 137307121
2-[4-(3-fluorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-4-methylphenol
CID 137306873
1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
CID 137290617

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol?
The IUPAC name of 2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol (CID 137306802) is 2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol.
What is the SMILES notation for 2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol?
The canonical SMILES for 2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol is Cc1ccc(O)c(-c2cc(-c3c(F)cccc3Cl)cc(N3CCCC3)n2)c1.
What is the InChIKey of 2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol?
The InChIKey is NKNFSHQBANIPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O/c1-14-7-8-20(27)16(11-14)19-12-15(22-17(23)5-4-6-18(22)24)13-21(25-19)26-9-2-3-10-26/h4-8,11-13,27H,2-3,9-10H2,1H3.
What are the key properties of 2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol?
2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol has a molecular weight of 382.87 g/mol, XLogP of 5.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol is sourced from PubChem (CID 137306802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).