sodium;4-(3,5-dichloro-2-pyridinyl)morpholine;phenoxide

C15H15Cl2N2NaO2 — CID 157429238

IUPACsodium;4-(3,5-dichloro-2-pyridinyl)morpholine;phenoxide
SMILESClc1cnc(N2CCOCC2)c(Cl)c1.[Na+].[O-]c1ccccc1
InChIInChI=1S/C9H10Cl2N2O.C6H6O.Na/c10-7-5-8(11)9(12-6-7)13-1-3-14-4-2-13;7-6-4-2-1-3-5-6;/h5-6H,1-4H2;1-5,7H;/q;;+1/p-1
InChIKeyKXZVWCZFVBBMQK-UHFFFAOYSA-M
MW349.19 g/mol
LogP-0.01
Rot. Bonds1

About sodium;4-(3,5-dichloro-2-pyridinyl)morpholine;phenoxide

sodium;4-(3,5-dichloro-2-pyridinyl)morpholine;phenoxide (PubChem CID 157429238) has the molecular formula C15H15Cl2N2NaO2 and a molecular weight of 349.19 g/mol. Its IUPAC name is sodium;4-(3,5-dichloro-2-pyridinyl)morpholine;phenoxide.

Molecular Properties

Compound Namesodium;4-(3,5-dichloro-2-pyridinyl)morpholine;phenoxide
PubChem CID157429238
Molecular FormulaC15H15Cl2N2NaO2
Molecular Weight349.19 g/mol
Exact Mass348.04
IUPAC Namesodium;4-(3,5-dichloro-2-pyridinyl)morpholine;phenoxide
SMILESClc1cnc(N2CCOCC2)c(Cl)c1.[Na+].[O-]c1ccccc1
InChIInChI=1S/C9H10Cl2N2O.C6H6O.Na/c10-7-5-8(11)9(12-6-7)13-1-3-14-4-2-13;7-6-4-2-1-3-5-6;/h5-6H,1-4H2;1-5,7H;/q;;+1/p-1
InChIKeyKXZVWCZFVBBMQK-UHFFFAOYSA-M
XLogP-0.01
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-morpholin-4-ylpyridin-3-amine
CID 80503744
5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 19869906
5-chloro-6-morpholin-4-ylpyridin-3-amine;hydron
CID 69345402
4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]phenol
CID 4822698
1-(3,5-dichloro-2-pyridinyl)-4-phenylpiperidine-4-carbonitrile
CID 155975178
2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172899893
1-(3,5-dichloro-2-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 6211958
4-[3-chloro-5-(chloromethyl)-2-pyridinyl]-1,4-oxazepane
CID 62972939
4-(5-chloro-2-phenylpyrimidin-4-yl)morpholine
CID 121004493
4-[6-[4-(5-chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 165433176
N-(5-chloro-6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 53373768
4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 165434180

Frequently Asked Questions

What is the IUPAC name of sodium;4-(3,5-dichloro-2-pyridinyl)morpholine;phenoxide?
The IUPAC name of sodium;4-(3,5-dichloro-2-pyridinyl)morpholine;phenoxide (CID 157429238) is sodium;4-(3,5-dichloro-2-pyridinyl)morpholine;phenoxide.
What is the SMILES notation for sodium;4-(3,5-dichloro-2-pyridinyl)morpholine;phenoxide?
The canonical SMILES for sodium;4-(3,5-dichloro-2-pyridinyl)morpholine;phenoxide is Clc1cnc(N2CCOCC2)c(Cl)c1.[Na+].[O-]c1ccccc1.
What is the InChIKey of sodium;4-(3,5-dichloro-2-pyridinyl)morpholine;phenoxide?
The InChIKey is KXZVWCZFVBBMQK-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10Cl2N2O.C6H6O.Na/c10-7-5-8(11)9(12-6-7)13-1-3-14-4-2-13;7-6-4-2-1-3-5-6;/h5-6H,1-4H2;1-5,7H;/q;;+1/p-1.
What are the key properties of sodium;4-(3,5-dichloro-2-pyridinyl)morpholine;phenoxide?
sodium;4-(3,5-dichloro-2-pyridinyl)morpholine;phenoxide has a molecular weight of 349.19 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-(3,5-dichloro-2-pyridinyl)morpholine;phenoxide is sourced from PubChem (CID 157429238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).