2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid

C14H19NO3 — CID 114054225

IUPAC2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid
SMILESCOc1cccnc1C1CCCCCC1C(=O)O
InChIInChI=1S/C14H19NO3/c1-18-12-8-5-9-15-13(12)10-6-3-2-4-7-11(10)14(16)17/h5,8-11H,2-4,6-7H2,1H3,(H,16,17)
InChIKeyCKDPVHIEFALADS-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.84
Rot. Bonds3

About 2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid

2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid (PubChem CID 114054225) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid
PubChem CID114054225
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid
SMILESCOc1cccnc1C1CCCCCC1C(=O)O
InChIInChI=1S/C14H19NO3/c1-18-12-8-5-9-15-13(12)10-6-3-2-4-7-11(10)14(16)17/h5,8-11H,2-4,6-7H2,1H3,(H,16,17)
InChIKeyCKDPVHIEFALADS-UHFFFAOYSA-N
XLogP2.84
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxypyrazin-2-yl)cyclohexane-1-carboxylic acid
CID 104516749
2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 82782977
2-(2-methoxy-5-methylphenyl)cycloheptane-1-carboxylic acid
CID 81008451
2-(2-methoxyphenyl)sulfanylcycloheptane-1-carboxylic acid
CID 63098270
2-(4-chloro-3-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 81021525
2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid
CID 81008870
2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 53411585
2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid
CID 81008651
cis-(1S,2R)-2-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 91536738
2-[1-(3-methoxypyridine-2-carbonyl)piperidin-4-yl]cyclopentane-1-carboxylic acid
CID 166317595
2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 81008761
3-cyclohexyl-1-(3-methoxy-2-pyridinyl)propan-1-one
CID 114054354

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid?
The IUPAC name of 2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid (CID 114054225) is 2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid is COc1cccnc1C1CCCCCC1C(=O)O.
What is the InChIKey of 2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid?
The InChIKey is CKDPVHIEFALADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-12-8-5-9-15-13(12)10-6-3-2-4-7-11(10)14(16)17/h5,8-11H,2-4,6-7H2,1H3,(H,16,17).
What are the key properties of 2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid?
2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 114054225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).