methyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-4-yl)pyridine-2-carboxylate

C14H10ClFN4O2 — CID 90451077

IUPACmethyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-4-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccc3[nH]ncc23)c(F)c(N)c1Cl
InChIInChI=1S/C14H10ClFN4O2/c1-22-14(21)13-9(15)11(17)10(16)12(19-13)6-3-2-4-8-7(6)5-18-20-8/h2-5H,1H3,(H2,17,19)(H,18,20)
InChIKeyYJKQINSGMRZUIQ-UHFFFAOYSA-N
MW320.71 g/mol
LogP2.79
Rot. Bonds2

About methyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-4-yl)pyridine-2-carboxylate

methyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-4-yl)pyridine-2-carboxylate (PubChem CID 90451077) has the molecular formula C14H10ClFN4O2 and a molecular weight of 320.71 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-4-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-4-yl)pyridine-2-carboxylate
PubChem CID90451077
Molecular FormulaC14H10ClFN4O2
Molecular Weight320.71 g/mol
Exact Mass320.05
IUPAC Namemethyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-4-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccc3[nH]ncc23)c(F)c(N)c1Cl
InChIInChI=1S/C14H10ClFN4O2/c1-22-14(21)13-9(15)11(17)10(16)12(19-13)6-3-2-4-8-7(6)5-18-20-8/h2-5H,1H3,(H2,17,19)(H,18,20)
InChIKeyYJKQINSGMRZUIQ-UHFFFAOYSA-N
XLogP2.79
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.71
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-7-yl)pyridine-2-carboxylate
CID 90451080
methyl 4-amino-6-(1-benzothiophen-4-yl)-3-chloro-5-fluoropyridine-2-carboxylate
CID 90451064
methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate
CID 90440258
5-amino-2-chloro-6-(1H-indazol-4-yl)pyrimidine-4-carboxamide
CID 170346793
methyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate
CID 90408725
methyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate
CID 67974861
methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate
CID 22677382
(2-methoxycarbonylphenyl)methyl 4-amino-3-chloro-5-fluoro-6-[2-fluoro-4-(iodomethyl)-3-methoxyphenyl]pyridine-2-carboxylate
CID 118258665
4-(3-fluoro-2-methoxyphenyl)-1H-indazole
CID 167807069
methyl 4-amino-3-chloro-5-fluoro-6-prop-2-enylpyridine-2-carboxylate
CID 118125607
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate
CID 59432126
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate
CID 59432141

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-4-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-4-yl)pyridine-2-carboxylate (CID 90451077) is methyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-4-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-4-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-4-yl)pyridine-2-carboxylate is COC(=O)c1nc(-c2cccc3[nH]ncc23)c(F)c(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-4-yl)pyridine-2-carboxylate?
The InChIKey is YJKQINSGMRZUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O2/c1-22-14(21)13-9(15)11(17)10(16)12(19-13)6-3-2-4-8-7(6)5-18-20-8/h2-5H,1H3,(H2,17,19)(H,18,20).
What are the key properties of methyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-4-yl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-4-yl)pyridine-2-carboxylate has a molecular weight of 320.71 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-4-yl)pyridine-2-carboxylate is sourced from PubChem (CID 90451077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).