6-chloro-2-(6-chloro-3-pyridinyl)hexanoic acid

C11H13Cl2NO2 — CID 58110161

IUPAC6-chloro-2-(6-chloro-3-pyridinyl)hexanoic acid
SMILESO=C(O)C(CCCCCl)c1ccc(Cl)nc1
InChIInChI=1S/C11H13Cl2NO2/c12-6-2-1-3-9(11(15)16)8-4-5-10(13)14-7-8/h4-5,7,9H,1-3,6H2,(H,15,16)
InChIKeyUFBYPOPPLDNOIT-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.31
Rot. Bonds6

About 6-chloro-2-(6-chloro-3-pyridinyl)hexanoic acid

6-chloro-2-(6-chloro-3-pyridinyl)hexanoic acid (PubChem CID 58110161) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 6-chloro-2-(6-chloro-3-pyridinyl)hexanoic acid.

Molecular Properties

Compound Name6-chloro-2-(6-chloro-3-pyridinyl)hexanoic acid
PubChem CID58110161
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name6-chloro-2-(6-chloro-3-pyridinyl)hexanoic acid
SMILESO=C(O)C(CCCCCl)c1ccc(Cl)nc1
InChIInChI=1S/C11H13Cl2NO2/c12-6-2-1-3-9(11(15)16)8-4-5-10(13)14-7-8/h4-5,7,9H,1-3,6H2,(H,15,16)
InChIKeyUFBYPOPPLDNOIT-UHFFFAOYSA-N
XLogP3.31
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethoxy)-2-(6-chloro-3-pyridinyl)acetic acid
CID 86615151
6-chloro-2-(4-methylsulfonylphenyl)hexanoic acid
CID 58110176
3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823447
3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid
CID 83066559
6-chloro-2-(3-chloro-5-fluorophenyl)hexanoic acid
CID 139342341
4-chloro-1-(6-chloro-3-pyridinyl)butane-1,2-diol
CID 171893265
3-(6-chloro-3-pyridinyl)butan-2-one
CID 59396961
2-(3,4-dichlorophenyl)hexanoic acid
CID 18626644
6-chloro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]hexanoic acid
CID 58110102
(2R)-2-[(1S)-1-(6-chloro-3-pyridinyl)ethyl]hex-5-ynoic acid
CID 88542689
ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate
CID 124564561
2-(4-chlorophenyl)-3-(4,6-dichloro-3-pyridinyl)propanoic acid
CID 116519749

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(6-chloro-3-pyridinyl)hexanoic acid?
The IUPAC name of 6-chloro-2-(6-chloro-3-pyridinyl)hexanoic acid (CID 58110161) is 6-chloro-2-(6-chloro-3-pyridinyl)hexanoic acid.
What is the SMILES notation for 6-chloro-2-(6-chloro-3-pyridinyl)hexanoic acid?
The canonical SMILES for 6-chloro-2-(6-chloro-3-pyridinyl)hexanoic acid is O=C(O)C(CCCCCl)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-2-(6-chloro-3-pyridinyl)hexanoic acid?
The InChIKey is UFBYPOPPLDNOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c12-6-2-1-3-9(11(15)16)8-4-5-10(13)14-7-8/h4-5,7,9H,1-3,6H2,(H,15,16).
What are the key properties of 6-chloro-2-(6-chloro-3-pyridinyl)hexanoic acid?
6-chloro-2-(6-chloro-3-pyridinyl)hexanoic acid has a molecular weight of 262.14 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(6-chloro-3-pyridinyl)hexanoic acid is sourced from PubChem (CID 58110161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).