methyl 3-[7-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-yl]oxypropanoate

C19H15Cl2NO4 — CID 19995298

IUPACmethyl 3-[7-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-yl]oxypropanoate
SMILESCOC(=O)CCOc1ccc2ccc(Oc3ncc(Cl)cc3Cl)cc2c1
InChIInChI=1S/C19H15Cl2NO4/c1-24-18(23)6-7-25-15-4-2-12-3-5-16(9-13(12)8-15)26-19-17(21)10-14(20)11-22-19/h2-5,8-11H,6-7H2,1H3
InChIKeyBPTHPQAISRTLSM-UHFFFAOYSA-N
MW392.24 g/mol
LogP5.28
Rot. Bonds6

About methyl 3-[7-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-yl]oxypropanoate

methyl 3-[7-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-yl]oxypropanoate (PubChem CID 19995298) has the molecular formula C19H15Cl2NO4 and a molecular weight of 392.24 g/mol. Its IUPAC name is methyl 3-[7-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-yl]oxypropanoate.

Molecular Properties

Compound Namemethyl 3-[7-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-yl]oxypropanoate
PubChem CID19995298
Molecular FormulaC19H15Cl2NO4
Molecular Weight392.24 g/mol
Exact Mass391.04
IUPAC Namemethyl 3-[7-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-yl]oxypropanoate
SMILESCOC(=O)CCOc1ccc2ccc(Oc3ncc(Cl)cc3Cl)cc2c1
InChIInChI=1S/C19H15Cl2NO4/c1-24-18(23)6-7-25-15-4-2-12-3-5-16(9-13(12)8-15)26-19-17(21)10-14(20)11-22-19/h2-5,8-11H,6-7H2,1H3
InChIKeyBPTHPQAISRTLSM-UHFFFAOYSA-N
XLogP5.28
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.24
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate
CID 28879850
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
ethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 57099582
(E)-3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoic acid
CID 68548203
2-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenol
CID 86116326
methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
methyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate
CID 3054668
ethyl 3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoate
CID 91436690
2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid
CID 43566444
N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-methylpropanamide
CID 86996582
1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106486635
2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid
CID 61398001

Frequently Asked Questions

What is the IUPAC name of methyl 3-[7-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-yl]oxypropanoate?
The IUPAC name of methyl 3-[7-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-yl]oxypropanoate (CID 19995298) is methyl 3-[7-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-yl]oxypropanoate.
What is the SMILES notation for methyl 3-[7-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-yl]oxypropanoate?
The canonical SMILES for methyl 3-[7-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-yl]oxypropanoate is COC(=O)CCOc1ccc2ccc(Oc3ncc(Cl)cc3Cl)cc2c1.
What is the InChIKey of methyl 3-[7-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-yl]oxypropanoate?
The InChIKey is BPTHPQAISRTLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO4/c1-24-18(23)6-7-25-15-4-2-12-3-5-16(9-13(12)8-15)26-19-17(21)10-14(20)11-22-19/h2-5,8-11H,6-7H2,1H3.
What are the key properties of methyl 3-[7-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-yl]oxypropanoate?
methyl 3-[7-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-yl]oxypropanoate has a molecular weight of 392.24 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[7-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-yl]oxypropanoate is sourced from PubChem (CID 19995298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).