5-(2H-pyridin-1-yl)pentanoic acid

C10H15NO2 — CID 151955101

IUPAC5-(2H-pyridin-1-yl)pentanoic acid
SMILESO=C(O)CCCCN1C=CC=CC1
InChIInChI=1S/C10H15NO2/c12-10(13)6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7H,2,5-6,8-9H2,(H,12,13)
InChIKeyTXLQNDZXYRSHJJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.63
Rot. Bonds5

About 5-(2H-pyridin-1-yl)pentanoic acid

5-(2H-pyridin-1-yl)pentanoic acid (PubChem CID 151955101) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(2H-pyridin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2H-pyridin-1-yl)pentanoic acid
PubChem CID151955101
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name5-(2H-pyridin-1-yl)pentanoic acid
SMILESO=C(O)CCCCN1C=CC=CC1
InChIInChI=1S/C10H15NO2/c12-10(13)6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7H,2,5-6,8-9H2,(H,12,13)
InChIKeyTXLQNDZXYRSHJJ-UHFFFAOYSA-N
XLogP1.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2H-pyridine;hydrochloride
CID 141072734
CID 175065585
CID 175065585
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
CID 158333715
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
azane;hexanedioic acid
CID 14323449
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033

Frequently Asked Questions

What is the IUPAC name of 5-(2H-pyridin-1-yl)pentanoic acid?
The IUPAC name of 5-(2H-pyridin-1-yl)pentanoic acid (CID 151955101) is 5-(2H-pyridin-1-yl)pentanoic acid.
What is the SMILES notation for 5-(2H-pyridin-1-yl)pentanoic acid?
The canonical SMILES for 5-(2H-pyridin-1-yl)pentanoic acid is O=C(O)CCCCN1C=CC=CC1.
What is the InChIKey of 5-(2H-pyridin-1-yl)pentanoic acid?
The InChIKey is TXLQNDZXYRSHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10(13)6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7H,2,5-6,8-9H2,(H,12,13).
What are the key properties of 5-(2H-pyridin-1-yl)pentanoic acid?
5-(2H-pyridin-1-yl)pentanoic acid has a molecular weight of 181.24 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-pyridin-1-yl)pentanoic acid is sourced from PubChem (CID 151955101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).