2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid

C14H13ClN2O3 — CID 121254066

IUPAC2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)O)c(Cl)n2)cn1
InChIInChI=1S/C14H13ClN2O3/c1-8(2)20-12-6-3-9(7-16-12)11-5-4-10(14(18)19)13(15)17-11/h3-8H,1-2H3,(H,18,19)
InChIKeyCCIHFLVFNOEBBD-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.28
Rot. Bonds4

About 2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid

2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid (PubChem CID 121254066) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid
PubChem CID121254066
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)O)c(Cl)n2)cn1
InChIInChI=1S/C14H13ClN2O3/c1-8(2)20-12-6-3-9(7-16-12)11-5-4-10(14(18)19)13(15)17-11/h3-8H,1-2H3,(H,18,19)
InChIKeyCCIHFLVFNOEBBD-UHFFFAOYSA-N
XLogP3.28
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid
CID 86618835
4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid
CID 67256782
ethyl 2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;(6-propan-2-yloxy-3-pyridinyl)boronic acid
CID 158220324
2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 46313848
2-ethoxy-6-propan-2-yloxypyridine-3-carboxylic acid
CID 175541249
2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid
CID 139519387
2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;ethane
CID 153336072
2-(6-propan-2-yloxy-3-pyridinyl)acetic acid
CID 84666013
N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 160977005
2-chloro-4-(6-propan-2-yloxypyridazin-3-yl)benzamide
CID 74232262
1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid
CID 68718953
2-(benzylamino)-N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
CID 131989980

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid (CID 121254066) is 2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid is CC(C)Oc1ccc(-c2ccc(C(=O)O)c(Cl)n2)cn1.
What is the InChIKey of 2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid?
The InChIKey is CCIHFLVFNOEBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-8(2)20-12-6-3-9(7-16-12)11-5-4-10(14(18)19)13(15)17-11/h3-8H,1-2H3,(H,18,19).
What are the key properties of 2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid?
2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid has a molecular weight of 292.72 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 121254066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).