2-hydroxybenzoic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)

C27H34N4O3 — CID 159601367

IUPAC2-hydroxybenzoic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
SMILESCN1CCCC1c1cccnc1.CN1CCCC1c1cccnc1.O=C(O)c1ccccc1O
InChIInChI=1S/2C10H14N2.C7H6O3/c2*1-12-7-3-5-10(12)9-4-2-6-11-8-9;8-6-4-2-1-3-5(6)7(9)10/h2*2,4,6,8,10H,3,5,7H2,1H3;1-4,8H,(H,9,10)
InChIKeyMLNGYTDNFZMJDP-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.79
Rot. Bonds3

About 2-hydroxybenzoic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)

2-hydroxybenzoic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine) (PubChem CID 159601367) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine).

Molecular Properties

Compound Name2-hydroxybenzoic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
PubChem CID159601367
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name2-hydroxybenzoic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
SMILESCN1CCCC1c1cccnc1.CN1CCCC1c1cccnc1.O=C(O)c1ccccc1O
InChIInChI=1S/2C10H14N2.C7H6O3/c2*1-12-7-3-5-10(12)9-4-2-6-11-8-9;8-6-4-2-1-3-5(6)7(9)10/h2*2,4,6,8,10H,3,5,7H2,1H3;1-4,8H,(H,9,10)
InChIKeyMLNGYTDNFZMJDP-UHFFFAOYSA-N
XLogP4.79
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

copper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
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3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
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methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
bis((E)-but-2-enedioic acid);bis(3-(1-methylpyrrolidin-2-yl)pyridine)
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3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3,4,5-trihydroxybenzoic acid
CID 135186900
CID 159245541
CID 159245541
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CID 144528341

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)?
The IUPAC name of 2-hydroxybenzoic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine) (CID 159601367) is 2-hydroxybenzoic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine).
What is the SMILES notation for 2-hydroxybenzoic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)?
The canonical SMILES for 2-hydroxybenzoic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine) is CN1CCCC1c1cccnc1.CN1CCCC1c1cccnc1.O=C(O)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzoic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)?
The InChIKey is MLNGYTDNFZMJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14N2.C7H6O3/c2*1-12-7-3-5-10(12)9-4-2-6-11-8-9;8-6-4-2-1-3-5(6)7(9)10/h2*2,4,6,8,10H,3,5,7H2,1H3;1-4,8H,(H,9,10).
What are the key properties of 2-hydroxybenzoic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)?
2-hydroxybenzoic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine) has a molecular weight of 462.59 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine) is sourced from PubChem (CID 159601367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).