2-(2-amino-5-chloro-3-pyridinyl)cycloheptane-1-carboxylic acid

C13H17ClN2O2 — CID 81021269

IUPAC2-(2-amino-5-chloro-3-pyridinyl)cycloheptane-1-carboxylic acid
SMILESNc1ncc(Cl)cc1C1CCCCCC1C(=O)O
InChIInChI=1S/C13H17ClN2O2/c14-8-6-11(12(15)16-7-8)9-4-2-1-3-5-10(9)13(17)18/h6-7,9-10H,1-5H2,(H2,15,16)(H,17,18)
InChIKeyVBDCHRGMVCSZEZ-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.07
Rot. Bonds2

About 2-(2-amino-5-chloro-3-pyridinyl)cycloheptane-1-carboxylic acid

2-(2-amino-5-chloro-3-pyridinyl)cycloheptane-1-carboxylic acid (PubChem CID 81021269) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-(2-amino-5-chloro-3-pyridinyl)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-amino-5-chloro-3-pyridinyl)cycloheptane-1-carboxylic acid
PubChem CID81021269
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-(2-amino-5-chloro-3-pyridinyl)cycloheptane-1-carboxylic acid
SMILESNc1ncc(Cl)cc1C1CCCCCC1C(=O)O
InChIInChI=1S/C13H17ClN2O2/c14-8-6-11(12(15)16-7-8)9-4-2-1-3-5-10(9)13(17)18/h6-7,9-10H,1-5H2,(H2,15,16)(H,17,18)
InChIKeyVBDCHRGMVCSZEZ-UHFFFAOYSA-N
XLogP3.07
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenyl)cycloheptane-1-carboxylic acid
CID 79015259
5-chloro-3-cyclohexylpyridine-2-carboxylic acid
CID 84727953
5-chloro-3-(2-phenylcyclopropyl)pyridin-2-amine
CID 116518244
5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55273654
2-(5-bromo-2-fluorophenyl)cycloheptane-1-carboxylic acid
CID 81008326
(2-amino-5-chloro-3-pyridinyl)-piperidin-2-ylmethanone
CID 116547814
3-(azepan-4-yl)-5-chloropyridin-2-amine
CID 83261814
2-(3,5-dichloro-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 66918073
1-(2-amino-5-chloro-3-pyridinyl)-2-cyclopentylsulfanylethanone
CID 65138738
1-(2-amino-5-chloro-3-pyridinyl)-1-cyclohexylethanol
CID 114795065
2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid
CID 79820848
2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 81008761

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chloro-3-pyridinyl)cycloheptane-1-carboxylic acid?
The IUPAC name of 2-(2-amino-5-chloro-3-pyridinyl)cycloheptane-1-carboxylic acid (CID 81021269) is 2-(2-amino-5-chloro-3-pyridinyl)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-(2-amino-5-chloro-3-pyridinyl)cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-(2-amino-5-chloro-3-pyridinyl)cycloheptane-1-carboxylic acid is Nc1ncc(Cl)cc1C1CCCCCC1C(=O)O.
What is the InChIKey of 2-(2-amino-5-chloro-3-pyridinyl)cycloheptane-1-carboxylic acid?
The InChIKey is VBDCHRGMVCSZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-8-6-11(12(15)16-7-8)9-4-2-1-3-5-10(9)13(17)18/h6-7,9-10H,1-5H2,(H2,15,16)(H,17,18).
What are the key properties of 2-(2-amino-5-chloro-3-pyridinyl)cycloheptane-1-carboxylic acid?
2-(2-amino-5-chloro-3-pyridinyl)cycloheptane-1-carboxylic acid has a molecular weight of 268.74 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chloro-3-pyridinyl)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 81021269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).