4-chloro-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide

C9H11ClN2O3 — CID 81233183

IUPAC4-chloro-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide
SMILESO=C(NCC(O)CO)c1cnccc1Cl
InChIInChI=1S/C9H11ClN2O3/c10-8-1-2-11-4-7(8)9(15)12-3-6(14)5-13/h1-2,4,6,13-14H,3,5H2,(H,12,15)
InChIKeyFJXNXRRZSDUNOG-UHFFFAOYSA-N
MW230.65 g/mol
LogP-0.18
Rot. Bonds4

About 4-chloro-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide

4-chloro-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide (PubChem CID 81233183) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide
PubChem CID81233183
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name4-chloro-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide
SMILESO=C(NCC(O)CO)c1cnccc1Cl
InChIInChI=1S/C9H11ClN2O3/c10-8-1-2-11-4-7(8)9(15)12-3-6(14)5-13/h1-2,4,6,13-14H,3,5H2,(H,12,15)
InChIKeyFJXNXRRZSDUNOG-UHFFFAOYSA-N
XLogP-0.18
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide (CID 81233183) is 4-chloro-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide is O=C(NCC(O)CO)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide?
The InChIKey is FJXNXRRZSDUNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c10-8-1-2-11-4-7(8)9(15)12-3-6(14)5-13/h1-2,4,6,13-14H,3,5H2,(H,12,15).
What are the key properties of 4-chloro-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide?
4-chloro-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide has a molecular weight of 230.65 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 81233183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).