[6-(4-chlorophenoxy)-2-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C16H15ClN2O3 — CID 75426035

IUPAC[6-(4-chlorophenoxy)-2-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Oc2ccc(Cl)cc2)n1)N1CC[C@@H](O)C1
InChIInChI=1S/C16H15ClN2O3/c17-11-4-6-13(7-5-11)22-15-3-1-2-14(18-15)16(21)19-9-8-12(20)10-19/h1-7,12,20H,8-10H2/t12-/m1/s1
InChIKeyYSJMEWRPZNQIOB-GFCCVEGCSA-N
MW318.76 g/mol
LogP2.73
Rot. Bonds3

About [6-(4-chlorophenoxy)-2-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

[6-(4-chlorophenoxy)-2-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 75426035) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is [6-(4-chlorophenoxy)-2-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(4-chlorophenoxy)-2-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID75426035
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name[6-(4-chlorophenoxy)-2-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Oc2ccc(Cl)cc2)n1)N1CC[C@@H](O)C1
InChIInChI=1S/C16H15ClN2O3/c17-11-4-6-13(7-5-11)22-15-3-1-2-14(18-15)16(21)19-9-8-12(20)10-19/h1-7,12,20H,8-10H2/t12-/m1/s1
InChIKeyYSJMEWRPZNQIOB-GFCCVEGCSA-N
XLogP2.73
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridine amide, 12
CID 44236998
(4-Cyclobutyl-1,4-diazepan-1-yl)(6-(3,4-dichlorophenoxy)pyridin-2-yl)methanone
CID 24771575
(6-(3,4-Dichlorophenoxy)pyridin-2-yl)(4-isopropyl-1,4-diazepan-1-yl)methanone
CID 24771576
(4-Cyclopropyl-1,4-diazepan-1-yl)(6-(3,4-dichlorophenoxy)pyridin-2-yl)methanone
CID 24771574
(3-Chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 53619922
(3-Chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 53625211
(3-Chloro-6-ethoxy-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56783446
[3-Chloro-6-(2-methoxyethoxy)-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71885672
(3-Chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71937748
3-Chloro-6-ethoxy-N,N-dimethylpyridine-2-carboxamide
CID 71937752
(3-Chloro-6-propan-2-yloxy-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 72151977
5-chloro-N-(2-ethoxyphenyl)-N-methylpyridine-2-carboxamide
CID 75389273

Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenoxy)-2-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [6-(4-chlorophenoxy)-2-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 75426035) is [6-(4-chlorophenoxy)-2-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(4-chlorophenoxy)-2-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(4-chlorophenoxy)-2-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is O=C(c1cccc(Oc2ccc(Cl)cc2)n1)N1CC[C@@H](O)C1.
What is the InChIKey of [6-(4-chlorophenoxy)-2-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is YSJMEWRPZNQIOB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c17-11-4-6-13(7-5-11)22-15-3-1-2-14(18-15)16(21)19-9-8-12(20)10-19/h1-7,12,20H,8-10H2/t12-/m1/s1.
What are the key properties of [6-(4-chlorophenoxy)-2-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
[6-(4-chlorophenoxy)-2-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 318.76 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenoxy)-2-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 75426035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).