5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide

C12H15ClN2O3 — CID 71989537

IUPAC5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(O)CCOCC1)c1ccc(Cl)cn1
InChIInChI=1S/C12H15ClN2O3/c13-9-1-2-10(14-7-9)11(16)15-8-12(17)3-5-18-6-4-12/h1-2,7,17H,3-6,8H2,(H,15,16)
InChIKeyUIWIBNLBRRYCIA-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.01
Rot. Bonds3

About 5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide

5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 71989537) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
PubChem CID71989537
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(O)CCOCC1)c1ccc(Cl)cn1
InChIInChI=1S/C12H15ClN2O3/c13-9-1-2-10(14-7-9)11(16)15-8-12(17)3-5-18-6-4-12/h1-2,7,17H,3-6,8H2,(H,15,16)
InChIKeyUIWIBNLBRRYCIA-UHFFFAOYSA-N
XLogP1.01
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide (CID 71989537) is 5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide is O=C(NCC1(O)CCOCC1)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is UIWIBNLBRRYCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c13-9-1-2-10(14-7-9)11(16)15-8-12(17)3-5-18-6-4-12/h1-2,7,17H,3-6,8H2,(H,15,16).
What are the key properties of 5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide?
5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 71989537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).