6-(6-hydroxyhex-1-ynyl)pyridine-3-carboxylic acid

C12H13NO3 — CID 160528594

IUPAC6-(6-hydroxyhex-1-ynyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C#CCCCCO)nc1
InChIInChI=1S/C12H13NO3/c14-8-4-2-1-3-5-11-7-6-10(9-13-11)12(15)16/h6-7,9,14H,1-2,4,8H2,(H,15,16)
InChIKeyQVFSMTROQRIJIC-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.29
Rot. Bonds4

About 6-(6-hydroxyhex-1-ynyl)pyridine-3-carboxylic acid

6-(6-hydroxyhex-1-ynyl)pyridine-3-carboxylic acid (PubChem CID 160528594) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-(6-hydroxyhex-1-ynyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(6-hydroxyhex-1-ynyl)pyridine-3-carboxylic acid
PubChem CID160528594
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name6-(6-hydroxyhex-1-ynyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C#CCCCCO)nc1
InChIInChI=1S/C12H13NO3/c14-8-4-2-1-3-5-11-7-6-10(9-13-11)12(15)16/h6-7,9,14H,1-2,4,8H2,(H,15,16)
InChIKeyQVFSMTROQRIJIC-UHFFFAOYSA-N
XLogP1.29
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-amino-4-oxobut-1-ynyl)pyridine-3-carboxylic acid
CID 170473118
4-(6-hydroxyhex-1-ynyl)benzoic acid;4-iodobenzoic acid
CID 155254954
ethane-1,2-diol;octane-1,8-diol;terephthalic acid
CID 67530978
6-[2-(1-hydroxycyclohexyl)ethynyl]pyridine-3-carboxylic acid
CID 169245761
4-[2-(5-fluoro-2-pyridinyl)ethynyl]benzoic acid
CID 162688776
tert-butyl 4-(6-hydroxyhex-1-ynyl)benzoate
CID 134414296
4-(4-hydroxybutoxy)benzoic acid
CID 15218596
6-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]pyridine-3-carboxylic acid
CID 164763898
5-pyridin-2-ylpent-4-ynoic acid
CID 66598382
6-[(E)-3,6,6-trimethyl-5-methylideneoct-3-en-1-ynyl]pyridine-3-carboxylic acid
CID 89283384
butanedioic acid;propane-1,3-diol;terephthalic acid
CID 163992644
pyridine-2,5-dicarboxylic acid
CID 158970171

Frequently Asked Questions

What is the IUPAC name of 6-(6-hydroxyhex-1-ynyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(6-hydroxyhex-1-ynyl)pyridine-3-carboxylic acid (CID 160528594) is 6-(6-hydroxyhex-1-ynyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(6-hydroxyhex-1-ynyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(6-hydroxyhex-1-ynyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(C#CCCCCO)nc1.
What is the InChIKey of 6-(6-hydroxyhex-1-ynyl)pyridine-3-carboxylic acid?
The InChIKey is QVFSMTROQRIJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-8-4-2-1-3-5-11-7-6-10(9-13-11)12(15)16/h6-7,9,14H,1-2,4,8H2,(H,15,16).
What are the key properties of 6-(6-hydroxyhex-1-ynyl)pyridine-3-carboxylic acid?
6-(6-hydroxyhex-1-ynyl)pyridine-3-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-hydroxyhex-1-ynyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 160528594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).