2-[(3-chloro-4-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol

C9H13ClN2O3 — CID 107849460

IUPAC2-[(3-chloro-4-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)Nc1ccncc1Cl
InChIInChI=1S/C9H13ClN2O3/c10-7-3-11-2-1-8(7)12-9(4-13,5-14)6-15/h1-3,13-15H,4-6H2,(H,11,12)
InChIKeyYBCIUUFHGZMRJA-UHFFFAOYSA-N
MW232.67 g/mol
LogP-0.14
Rot. Bonds5

About 2-[(3-chloro-4-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol

2-[(3-chloro-4-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107849460) has the molecular formula C9H13ClN2O3 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-[(3-chloro-4-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(3-chloro-4-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID107849460
Molecular FormulaC9H13ClN2O3
Molecular Weight232.67 g/mol
Exact Mass232.06
IUPAC Name2-[(3-chloro-4-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)Nc1ccncc1Cl
InChIInChI=1S/C9H13ClN2O3/c10-7-3-11-2-1-8(7)12-9(4-13,5-14)6-15/h1-3,13-15H,4-6H2,(H,11,12)
InChIKeyYBCIUUFHGZMRJA-UHFFFAOYSA-N
XLogP-0.14
TPSA85.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chloro-4-pyridinyl)amino]propan-1-ol
CID 79838859
3-N-(3-chloro-4-pyridinyl)-3-methylpentane-1,3-diamine
CID 106165698
1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine
CID 115303812
3-[(3-chloro-4-pyridinyl)amino]butan-2-ol
CID 126992331
[1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 112697538
1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol
CID 103736532
2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide
CID 79840144
1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine
CID 115306332
3-chloro-N-phenylpyridin-4-amine
CID 53468349
3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine
CID 107156107
1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106254317
3-chloro-N-(6-chlorohexyl)pyridin-4-amine
CID 107846107

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[(3-chloro-4-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol (CID 107849460) is 2-[(3-chloro-4-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[(3-chloro-4-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[(3-chloro-4-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol is OCC(CO)(CO)Nc1ccncc1Cl.
What is the InChIKey of 2-[(3-chloro-4-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is YBCIUUFHGZMRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3/c10-7-3-11-2-1-8(7)12-9(4-13,5-14)6-15/h1-3,13-15H,4-6H2,(H,11,12).
What are the key properties of 2-[(3-chloro-4-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[(3-chloro-4-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 232.67 g/mol, XLogP of -0.14, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107849460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).