4-amino-3-chloro-6-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]pyridine-2-carboxylic acid

C15H16ClN3O3 — CID 174443473

IUPAC4-amino-3-chloro-6-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)Oc1ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)cn1
InChIInChI=1S/C15H16ClN3O3/c1-15(2,3)22-11-5-4-8(7-18-11)10-6-9(17)12(16)13(19-10)14(20)21/h4-7H,1-3H3,(H2,17,19)(H,20,21)
InChIKeyASSCWAKWVQENSJ-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.25
Rot. Bonds3

About 4-amino-3-chloro-6-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]pyridine-2-carboxylic acid

4-amino-3-chloro-6-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]pyridine-2-carboxylic acid (PubChem CID 174443473) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 4-amino-3-chloro-6-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]pyridine-2-carboxylic acid
PubChem CID174443473
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name4-amino-3-chloro-6-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)Oc1ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)cn1
InChIInChI=1S/C15H16ClN3O3/c1-15(2,3)22-11-5-4-8(7-18-11)10-6-9(17)12(16)13(19-10)14(20)21/h4-7H,1-3H3,(H2,17,19)(H,20,21)
InChIKeyASSCWAKWVQENSJ-UHFFFAOYSA-N
XLogP3.25
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]pyridine-2-carboxylic acid (CID 174443473) is 4-amino-3-chloro-6-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]pyridine-2-carboxylic acid is CC(C)(C)Oc1ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)cn1.
What is the InChIKey of 4-amino-3-chloro-6-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]pyridine-2-carboxylic acid?
The InChIKey is ASSCWAKWVQENSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-15(2,3)22-11-5-4-8(7-18-11)10-6-9(17)12(16)13(19-10)14(20)21/h4-7H,1-3H3,(H2,17,19)(H,20,21).
What are the key properties of 4-amino-3-chloro-6-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]pyridine-2-carboxylic acid?
4-amino-3-chloro-6-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]pyridine-2-carboxylic acid has a molecular weight of 321.76 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-6-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 174443473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).