2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;ethane

C20H27ClFNO3 — CID 153336072

IUPAC2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;ethane
SMILESCC.CC.CC(C)COc1cc(F)cc(-c2ccc(C(=O)O)c(Cl)n2)c1
InChIInChI=1S/C16H15ClFNO3.2C2H6/c1-9(2)8-22-12-6-10(5-11(18)7-12)14-4-3-13(16(20)21)15(17)19-14;2*1-2/h3-7,9H,8H2,1-2H3,(H,20,21);2*1-2H3
InChIKeyDXPYFWUASLMELC-UHFFFAOYSA-N
MW383.89 g/mol
LogP6.33
Rot. Bonds5

About 2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;ethane

2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;ethane (PubChem CID 153336072) has the molecular formula C20H27ClFNO3 and a molecular weight of 383.89 g/mol. Its IUPAC name is 2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;ethane.

Molecular Properties

Compound Name2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;ethane
PubChem CID153336072
Molecular FormulaC20H27ClFNO3
Molecular Weight383.89 g/mol
Exact Mass383.17
IUPAC Name2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;ethane
SMILESCC.CC.CC(C)COc1cc(F)cc(-c2ccc(C(=O)O)c(Cl)n2)c1
InChIInChI=1S/C16H15ClFNO3.2C2H6/c1-9(2)8-22-12-6-10(5-11(18)7-12)14-4-3-13(16(20)21)15(17)19-14;2*1-2/h3-7,9H,8H2,1-2H3,(H,20,21);2*1-2H3
InChIKeyDXPYFWUASLMELC-UHFFFAOYSA-N
XLogP6.33
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.89
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;ethyl 2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylate;molecular hydrogen
CID 157450566
ethyl 2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylate
CID 121252651
4-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid
CID 121251625
N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;molecular hydrogen
CID 158110892
6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4,4-tetramethylcyclopentyl)pyridine-3-carboxylic acid
CID 121251396
1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)-3-pyridinyl]ethanone
CID 139459019
2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 46313848
2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
CID 175768406
2-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-pyridinyl]ethanone;2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-iodo-2,6-dimethylphenoxy)-3-pyridinyl]ethanone
CID 162035585
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1-phenylethoxy)pyridine-3-carboxamide
CID 121254196
2-(dimethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide
CID 158814016
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 131965427

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;ethane?
The IUPAC name of 2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;ethane (CID 153336072) is 2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;ethane.
What is the SMILES notation for 2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;ethane?
The canonical SMILES for 2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;ethane is CC.CC.CC(C)COc1cc(F)cc(-c2ccc(C(=O)O)c(Cl)n2)c1.
What is the InChIKey of 2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;ethane?
The InChIKey is DXPYFWUASLMELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO3.2C2H6/c1-9(2)8-22-12-6-10(5-11(18)7-12)14-4-3-13(16(20)21)15(17)19-14;2*1-2/h3-7,9H,8H2,1-2H3,(H,20,21);2*1-2H3.
What are the key properties of 2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;ethane?
2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;ethane has a molecular weight of 383.89 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;ethane is sourced from PubChem (CID 153336072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).