2-[bis(2-hydroxyethyl)amino]-4-iodopyridine-3-carbaldehyde

C10H13IN2O3 — CID 167921006

IUPAC2-[bis(2-hydroxyethyl)amino]-4-iodopyridine-3-carbaldehyde
SMILESO=Cc1c(I)ccnc1N(CCO)CCO
InChIInChI=1S/C10H13IN2O3/c11-9-1-2-12-10(8(9)7-16)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6H2
InChIKeyPINJNGURNZLIQN-UHFFFAOYSA-N
MW336.13 g/mol
LogP0.29
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]-4-iodopyridine-3-carbaldehyde

2-[bis(2-hydroxyethyl)amino]-4-iodopyridine-3-carbaldehyde (PubChem CID 167921006) has the molecular formula C10H13IN2O3 and a molecular weight of 336.13 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-4-iodopyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-4-iodopyridine-3-carbaldehyde
PubChem CID167921006
Molecular FormulaC10H13IN2O3
Molecular Weight336.13 g/mol
Exact Mass336.00
IUPAC Name2-[bis(2-hydroxyethyl)amino]-4-iodopyridine-3-carbaldehyde
SMILESO=Cc1c(I)ccnc1N(CCO)CCO
InChIInChI=1S/C10H13IN2O3/c11-9-1-2-12-10(8(9)7-16)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6H2
InChIKeyPINJNGURNZLIQN-UHFFFAOYSA-N
XLogP0.29
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-4-iodopyridine-3-carbaldehyde?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-4-iodopyridine-3-carbaldehyde (CID 167921006) is 2-[bis(2-hydroxyethyl)amino]-4-iodopyridine-3-carbaldehyde.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-4-iodopyridine-3-carbaldehyde?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-4-iodopyridine-3-carbaldehyde is O=Cc1c(I)ccnc1N(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-4-iodopyridine-3-carbaldehyde?
The InChIKey is PINJNGURNZLIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O3/c11-9-1-2-12-10(8(9)7-16)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-4-iodopyridine-3-carbaldehyde?
2-[bis(2-hydroxyethyl)amino]-4-iodopyridine-3-carbaldehyde has a molecular weight of 336.13 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-4-iodopyridine-3-carbaldehyde is sourced from PubChem (CID 167921006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).