2-[(E)-pent-2-en-2-yl]pyridine;2-prop-1-en-2-ylpyridine-4-carboxylic acid

C19H22N2O2 — CID 145355703

IUPAC2-[(E)-pent-2-en-2-yl]pyridine;2-prop-1-en-2-ylpyridine-4-carboxylic acid
SMILESC=C(C)c1cc(C(=O)O)ccn1.CC/C=C(\C)c1ccccn1
InChIInChI=1S/C10H13N.C9H9NO2/c1-3-6-9(2)10-7-4-5-8-11-10;1-6(2)8-5-7(9(11)12)3-4-10-8/h4-8H,3H2,1-2H3;3-5H,1H2,2H3,(H,11,12)/b9-6+;
InChIKeyTVKLXXZTUUKMBR-MLBSPLJJSA-N
MW310.40 g/mol
LogP4.71
Rot. Bonds4

About 2-[(E)-pent-2-en-2-yl]pyridine;2-prop-1-en-2-ylpyridine-4-carboxylic acid

2-[(E)-pent-2-en-2-yl]pyridine;2-prop-1-en-2-ylpyridine-4-carboxylic acid (PubChem CID 145355703) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[(E)-pent-2-en-2-yl]pyridine;2-prop-1-en-2-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-pent-2-en-2-yl]pyridine;2-prop-1-en-2-ylpyridine-4-carboxylic acid
PubChem CID145355703
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-[(E)-pent-2-en-2-yl]pyridine;2-prop-1-en-2-ylpyridine-4-carboxylic acid
SMILESC=C(C)c1cc(C(=O)O)ccn1.CC/C=C(\C)c1ccccn1
InChIInChI=1S/C10H13N.C9H9NO2/c1-3-6-9(2)10-7-4-5-8-11-10;1-6(2)8-5-7(9(11)12)3-4-10-8/h4-8H,3H2,1-2H3;3-5H,1H2,2H3,(H,11,12)/b9-6+;
InChIKeyTVKLXXZTUUKMBR-MLBSPLJJSA-N
XLogP4.71
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-but-2-en-2-yl]pyridine;1-ethyl-4-phenoxybenzene;2-prop-1-en-2-ylpyridine-4-carboxylic acid
CID 145355696
2-[(Z)-pent-2-en-2-yl]pyridine
CID 45079825
2-(4-phenylbut-2-en-2-yl)pyridine
CID 175479491
pyridine;pyridine-2,4-dicarboxylic acid
CID 159305579
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
2-methylprop-2-enoic acid;pyridine-2-carboxylic acid
CID 174790121
4-hydroxypent-3-en-2-one;pyridine-2-carboxylic acid
CID 77413550
hydrazine;pyridine-2,4-dicarboxylic acid
CID 71369189
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
pyridine-2-carboxylic acid;pyridine-4-carboxylic acid
CID 70268469
gadolinium;pyridine-2-carboxylic acid
CID 175231422

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-pent-2-en-2-yl]pyridine;2-prop-1-en-2-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-[(E)-pent-2-en-2-yl]pyridine;2-prop-1-en-2-ylpyridine-4-carboxylic acid (CID 145355703) is 2-[(E)-pent-2-en-2-yl]pyridine;2-prop-1-en-2-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(E)-pent-2-en-2-yl]pyridine;2-prop-1-en-2-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[(E)-pent-2-en-2-yl]pyridine;2-prop-1-en-2-ylpyridine-4-carboxylic acid is C=C(C)c1cc(C(=O)O)ccn1.CC/C=C(\C)c1ccccn1.
What is the InChIKey of 2-[(E)-pent-2-en-2-yl]pyridine;2-prop-1-en-2-ylpyridine-4-carboxylic acid?
The InChIKey is TVKLXXZTUUKMBR-MLBSPLJJSA-N. The full InChI is InChI=1S/C10H13N.C9H9NO2/c1-3-6-9(2)10-7-4-5-8-11-10;1-6(2)8-5-7(9(11)12)3-4-10-8/h4-8H,3H2,1-2H3;3-5H,1H2,2H3,(H,11,12)/b9-6+;.
What are the key properties of 2-[(E)-pent-2-en-2-yl]pyridine;2-prop-1-en-2-ylpyridine-4-carboxylic acid?
2-[(E)-pent-2-en-2-yl]pyridine;2-prop-1-en-2-ylpyridine-4-carboxylic acid has a molecular weight of 310.40 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-pent-2-en-2-yl]pyridine;2-prop-1-en-2-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 145355703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).