7-[(3-chloro-2-pyridinyl)amino]heptanoic acid

C12H17ClN2O2 — CID 24694576

IUPAC7-[(3-chloro-2-pyridinyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNc1ncccc1Cl
InChIInChI=1S/C12H17ClN2O2/c13-10-6-5-9-15-12(10)14-8-4-2-1-3-7-11(16)17/h5-6,9H,1-4,7-8H2,(H,14,15)(H,16,17)
InChIKeyNKYWESMZAIBAJG-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.18
Rot. Bonds8

About 7-[(3-chloro-2-pyridinyl)amino]heptanoic acid

7-[(3-chloro-2-pyridinyl)amino]heptanoic acid (PubChem CID 24694576) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 7-[(3-chloro-2-pyridinyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(3-chloro-2-pyridinyl)amino]heptanoic acid
PubChem CID24694576
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name7-[(3-chloro-2-pyridinyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNc1ncccc1Cl
InChIInChI=1S/C12H17ClN2O2/c13-10-6-5-9-15-12(10)14-8-4-2-1-3-7-11(16)17/h5-6,9H,1-4,7-8H2,(H,14,15)(H,16,17)
InChIKeyNKYWESMZAIBAJG-UHFFFAOYSA-N
XLogP3.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 65030223
4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 79401819
6-[(5-chloroquinolin-8-yl)amino]hexanoic acid
CID 116784056
6-(pyrazolo[1,5-a]pyrazin-4-ylamino)hexanoic acid
CID 104729297
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
5-(2,3-dichloroanilino)pentanoic acid
CID 28972138
5-(pyridin-3-ylamino)pentanoic acid
CID 102421086
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
4-[(3-ethoxycarbonyl-2-pyridinyl)amino]butanoic acid
CID 24708096
2-(hexylamino)pyridine-3-carboxylic acid
CID 14222051
4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid
CID 103094277
7-[(4-cyanopyridazin-3-yl)amino]heptanoic acid
CID 80508044

Frequently Asked Questions

What is the IUPAC name of 7-[(3-chloro-2-pyridinyl)amino]heptanoic acid?
The IUPAC name of 7-[(3-chloro-2-pyridinyl)amino]heptanoic acid (CID 24694576) is 7-[(3-chloro-2-pyridinyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(3-chloro-2-pyridinyl)amino]heptanoic acid?
The canonical SMILES for 7-[(3-chloro-2-pyridinyl)amino]heptanoic acid is O=C(O)CCCCCCNc1ncccc1Cl.
What is the InChIKey of 7-[(3-chloro-2-pyridinyl)amino]heptanoic acid?
The InChIKey is NKYWESMZAIBAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c13-10-6-5-9-15-12(10)14-8-4-2-1-3-7-11(16)17/h5-6,9H,1-4,7-8H2,(H,14,15)(H,16,17).
What are the key properties of 7-[(3-chloro-2-pyridinyl)amino]heptanoic acid?
7-[(3-chloro-2-pyridinyl)amino]heptanoic acid has a molecular weight of 256.73 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chloro-2-pyridinyl)amino]heptanoic acid is sourced from PubChem (CID 24694576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).