5-chloro-6-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carbonitrile

C9H10ClN3O2 — CID 71998142

IUPAC5-chloro-6-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(NC(CO)CO)c(Cl)c1
InChIInChI=1S/C9H10ClN3O2/c10-8-1-6(2-11)3-12-9(8)13-7(4-14)5-15/h1,3,7,14-15H,4-5H2,(H,12,13)
InChIKeyQWUTZFNTYNHYQP-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.37
Rot. Bonds4

About 5-chloro-6-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carbonitrile

5-chloro-6-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carbonitrile (PubChem CID 71998142) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 5-chloro-6-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carbonitrile
PubChem CID71998142
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name5-chloro-6-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(NC(CO)CO)c(Cl)c1
InChIInChI=1S/C9H10ClN3O2/c10-8-1-6(2-11)3-12-9(8)13-7(4-14)5-15/h1,3,7,14-15H,4-5H2,(H,12,13)
InChIKeyQWUTZFNTYNHYQP-UHFFFAOYSA-N
XLogP0.37
TPSA89.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carbonitrile (CID 71998142) is 5-chloro-6-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carbonitrile is N#Cc1cnc(NC(CO)CO)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carbonitrile?
The InChIKey is QWUTZFNTYNHYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c10-8-1-6(2-11)3-12-9(8)13-7(4-14)5-15/h1,3,7,14-15H,4-5H2,(H,12,13).
What are the key properties of 5-chloro-6-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carbonitrile?
5-chloro-6-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carbonitrile has a molecular weight of 227.65 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 71998142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).