5-chloro-6-[2-[4-(hydroxymethyl)triazol-1-yl]ethylamino]pyridine-3-carboxylic acid

C11H12ClN5O3 — CID 167932861

IUPAC5-chloro-6-[2-[4-(hydroxymethyl)triazol-1-yl]ethylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(NCCn2cc(CO)nn2)c(Cl)c1
InChIInChI=1S/C11H12ClN5O3/c12-9-3-7(11(19)20)4-14-10(9)13-1-2-17-5-8(6-18)15-16-17/h3-5,18H,1-2,6H2,(H,13,14)(H,19,20)
InChIKeyVNHFIKUYUPWMHZ-UHFFFAOYSA-N
MW297.70 g/mol
LogP0.63
Rot. Bonds6

About 5-chloro-6-[2-[4-(hydroxymethyl)triazol-1-yl]ethylamino]pyridine-3-carboxylic acid

5-chloro-6-[2-[4-(hydroxymethyl)triazol-1-yl]ethylamino]pyridine-3-carboxylic acid (PubChem CID 167932861) has the molecular formula C11H12ClN5O3 and a molecular weight of 297.70 g/mol. Its IUPAC name is 5-chloro-6-[2-[4-(hydroxymethyl)triazol-1-yl]ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[2-[4-(hydroxymethyl)triazol-1-yl]ethylamino]pyridine-3-carboxylic acid
PubChem CID167932861
Molecular FormulaC11H12ClN5O3
Molecular Weight297.70 g/mol
Exact Mass297.06
IUPAC Name5-chloro-6-[2-[4-(hydroxymethyl)triazol-1-yl]ethylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(NCCn2cc(CO)nn2)c(Cl)c1
InChIInChI=1S/C11H12ClN5O3/c12-9-3-7(11(19)20)4-14-10(9)13-1-2-17-5-8(6-18)15-16-17/h3-5,18H,1-2,6H2,(H,13,14)(H,19,20)
InChIKeyVNHFIKUYUPWMHZ-UHFFFAOYSA-N
XLogP0.63
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.70
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[2-[4-(hydroxymethyl)triazol-1-yl]ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[2-[4-(hydroxymethyl)triazol-1-yl]ethylamino]pyridine-3-carboxylic acid (CID 167932861) is 5-chloro-6-[2-[4-(hydroxymethyl)triazol-1-yl]ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[2-[4-(hydroxymethyl)triazol-1-yl]ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[2-[4-(hydroxymethyl)triazol-1-yl]ethylamino]pyridine-3-carboxylic acid is O=C(O)c1cnc(NCCn2cc(CO)nn2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[2-[4-(hydroxymethyl)triazol-1-yl]ethylamino]pyridine-3-carboxylic acid?
The InChIKey is VNHFIKUYUPWMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O3/c12-9-3-7(11(19)20)4-14-10(9)13-1-2-17-5-8(6-18)15-16-17/h3-5,18H,1-2,6H2,(H,13,14)(H,19,20).
What are the key properties of 5-chloro-6-[2-[4-(hydroxymethyl)triazol-1-yl]ethylamino]pyridine-3-carboxylic acid?
5-chloro-6-[2-[4-(hydroxymethyl)triazol-1-yl]ethylamino]pyridine-3-carboxylic acid has a molecular weight of 297.70 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[2-[4-(hydroxymethyl)triazol-1-yl]ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 167932861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).