2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxylic acid;prop-1-ene

C13H14ClN3O3 — CID 142372540

IUPAC2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxylic acid;prop-1-ene
SMILESC=CC.COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1
InChIInChI=1S/C10H8ClN3O3.C3H6/c1-17-8-4-5-14(13-8)7-3-2-6(10(15)16)9(11)12-7;1-3-2/h2-5H,1H3,(H,15,16);3H,1H2,2H3
InChIKeyMAKJPVXSTHRMMU-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.82
Rot. Bonds3

About 2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxylic acid;prop-1-ene

2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxylic acid;prop-1-ene (PubChem CID 142372540) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxylic acid;prop-1-ene.

Molecular Properties

Compound Name2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxylic acid;prop-1-ene
PubChem CID142372540
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxylic acid;prop-1-ene
SMILESC=CC.COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1
InChIInChI=1S/C10H8ClN3O3.C3H6/c1-17-8-4-5-14(13-8)7-3-2-6(10(15)16)9(11)12-7;1-3-2/h2-5H,1H3,(H,15,16);3H,1H2,2H3
InChIKeyMAKJPVXSTHRMMU-UHFFFAOYSA-N
XLogP2.82
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(3-cyclopropyloxypyrazol-1-yl)pyridine-3-carboxylic acid
CID 134393633
N-(benzenesulfonyl)-2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxamide
CID 134398714
6-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid
CID 134587269
6-[3-[[(2S)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid
CID 140877261
6-[3-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid
CID 142372556
2-chloro-6-[3-[[(2S,4S)-3-fluoro-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
CID 155187814
6-[3-[[(1S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid
CID 170396215
tert-butyl 2-chloro-6-[3-[(1R,2R)-2-methylcyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2-chloro-6-[3-[(1S,2S)-2-methylcyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylate;2-chloro-6-[3-[(1R,2R)-2-methylcyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-[(1S,2S)-2-methylcyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetaldehyde
CID 157497718
2-chloro-6-[3-[2,2,3,3-tetradeuterio-3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
CID 139389139
ethyl 2-chloro-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate
CID 153351086
tert-butyl 2-chloro-6-(3-cyclopropyloxypyrazol-1-yl)pyridine-3-carboxylate
CID 134393632
N-(benzenesulfonyl)-2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
CID 160837808

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxylic acid;prop-1-ene?
The IUPAC name of 2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxylic acid;prop-1-ene (CID 142372540) is 2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxylic acid;prop-1-ene.
What is the SMILES notation for 2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxylic acid;prop-1-ene?
The canonical SMILES for 2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxylic acid;prop-1-ene is C=CC.COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1.
What is the InChIKey of 2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxylic acid;prop-1-ene?
The InChIKey is MAKJPVXSTHRMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O3.C3H6/c1-17-8-4-5-14(13-8)7-3-2-6(10(15)16)9(11)12-7;1-3-2/h2-5H,1H3,(H,15,16);3H,1H2,2H3.
What are the key properties of 2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxylic acid;prop-1-ene?
2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxylic acid;prop-1-ene has a molecular weight of 295.73 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxylic acid;prop-1-ene is sourced from PubChem (CID 142372540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).