(4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid

C16H15Cl2NO3 — CID 175121808

IUPAC(4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid
SMILESO=C(O)CC[C@@H](c1cccc(Cl)c1)[C@H](O)c1ccc(Cl)cn1
InChIInChI=1S/C16H15Cl2NO3/c17-11-3-1-2-10(8-11)13(5-7-15(20)21)16(22)14-6-4-12(18)9-19-14/h1-4,6,8-9,13,16,22H,5,7H2,(H,20,21)/t13-,16-/m0/s1
InChIKeyQJKRZBGWSOXYDY-BBRMVZONSA-N
MW340.21 g/mol
LogP4.07
Rot. Bonds6

About (4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid

(4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid (PubChem CID 175121808) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is (4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid.

Molecular Properties

Compound Name(4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid
PubChem CID175121808
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name(4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid
SMILESO=C(O)CC[C@@H](c1cccc(Cl)c1)[C@H](O)c1ccc(Cl)cn1
InChIInChI=1S/C16H15Cl2NO3/c17-11-3-1-2-10(8-11)13(5-7-15(20)21)16(22)14-6-4-12(18)9-19-14/h1-4,6,8-9,13,16,22H,5,7H2,(H,20,21)/t13-,16-/m0/s1
InChIKeyQJKRZBGWSOXYDY-BBRMVZONSA-N
XLogP4.07
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid
CID 67999647
methyl (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)pentanoate
CID 129153597
(4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid
CID 129383494
2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butan-1-amine
CID 69145699
5-azido-4-(3-chlorophenyl)-5-(4-chlorophenyl)pentanoic acid
CID 141326905
[(3-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]hydrazine
CID 105251601
(4R,5S)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-[cyclopropyl(pyridin-2-ylmethyl)amino]pentanoic acid
CID 67999154
ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865586
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
(5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116543738
tert-butyl N-[2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-hydroxyethyl]-N-(cyclopropylmethyl)carbamate
CID 123644748
4-bromo-5-(3-chlorophenyl)-5-oxopentanoic acid
CID 10357765

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid?
The IUPAC name of (4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid (CID 175121808) is (4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid.
What is the SMILES notation for (4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid?
The canonical SMILES for (4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid is O=C(O)CC[C@@H](c1cccc(Cl)c1)[C@H](O)c1ccc(Cl)cn1.
What is the InChIKey of (4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid?
The InChIKey is QJKRZBGWSOXYDY-BBRMVZONSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c17-11-3-1-2-10(8-11)13(5-7-15(20)21)16(22)14-6-4-12(18)9-19-14/h1-4,6,8-9,13,16,22H,5,7H2,(H,20,21)/t13-,16-/m0/s1.
What are the key properties of (4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid?
(4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid has a molecular weight of 340.21 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid is sourced from PubChem (CID 175121808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).