2-[2-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]ethyl]cyclopropane-1-carboxylic acid

C18H18ClNO3 — CID 130386988

IUPAC2-[2-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
SMILESCOc1ncc(Cl)cc1-c1ccc(CCC2CC2C(=O)O)cc1
InChIInChI=1S/C18H18ClNO3/c1-23-17-15(9-14(19)10-20-17)12-5-2-11(3-6-12)4-7-13-8-16(13)18(21)22/h2-3,5-6,9-10,13,16H,4,7-8H2,1H3,(H,21,22)
InChIKeyWTTXTDHIMOSPLX-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.06
Rot. Bonds6

About 2-[2-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]ethyl]cyclopropane-1-carboxylic acid

2-[2-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]ethyl]cyclopropane-1-carboxylic acid (PubChem CID 130386988) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-[2-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
PubChem CID130386988
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name2-[2-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
SMILESCOc1ncc(Cl)cc1-c1ccc(CCC2CC2C(=O)O)cc1
InChIInChI=1S/C18H18ClNO3/c1-23-17-15(9-14(19)10-20-17)12-5-2-11(3-6-12)4-7-13-8-16(13)18(21)22/h2-3,5-6,9-10,13,16H,4,7-8H2,1H3,(H,21,22)
InChIKeyWTTXTDHIMOSPLX-UHFFFAOYSA-N
XLogP4.06
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-{4-[(6-Chloro-3-pyridinyl)methoxy]phenyl}acetic acid
CID 2768471
(5R)-5-(4-chlorophenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one
CID 44143820
7-(4-Methoxy-phenyl)-7-pyridin-3-yl-hept-6-enoic acid
CID 44330932
Rac-3-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)phenyl)hex-4-ynoic acid
CID 54582630
3-[4-[2-(2-Methoxy-4-pyridinyl)ethynyl]phenyl]propanoic acid
CID 54757732
5-[4-[2-(Cyclopropylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]pentanoic acid
CID 121446977
5-[4-[2-(Cyclopropylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]hexanoic acid
CID 121447061
5-[4-[2-(Cyclopropylmethoxy)-3-pyridinyl]-2-fluorophenyl]pentanoic acid
CID 121447085
5-[2,6-Difluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]hexanoic acid
CID 121447293
5-[4-[2-(Cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]pentanoic acid
CID 121447332
5-[4-[2-(Cyclopropylmethoxy)pyridin-3-yl]phenyl]-5,5-difluoropentanoic acid
CID 121447424
3-[2-[4-[2-(Cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]cyclopropyl]propanoic acid
CID 121447429

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]ethyl]cyclopropane-1-carboxylic acid (CID 130386988) is 2-[2-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]ethyl]cyclopropane-1-carboxylic acid is COc1ncc(Cl)cc1-c1ccc(CCC2CC2C(=O)O)cc1.
What is the InChIKey of 2-[2-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is WTTXTDHIMOSPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-23-17-15(9-14(19)10-20-17)12-5-2-11(3-6-12)4-7-13-8-16(13)18(21)22/h2-3,5-6,9-10,13,16H,4,7-8H2,1H3,(H,21,22).
What are the key properties of 2-[2-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]ethyl]cyclopropane-1-carboxylic acid?
2-[2-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 331.80 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 130386988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).