methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate

C8H6ClF2NO3 — CID 130072747

IUPACmethyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C(F)F)c(Cl)c1O
InChIInChI=1S/C8H6ClF2NO3/c1-15-8(14)5-6(13)4(9)3(2-12-5)7(10)11/h2,7,13H,1H3
InChIKeyDHOCDDLTMHHYEL-UHFFFAOYSA-N
MW237.59 g/mol
LogP2.16
Rot. Bonds2

About methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate

methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate (PubChem CID 130072747) has the molecular formula C8H6ClF2NO3 and a molecular weight of 237.59 g/mol. Its IUPAC name is methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
PubChem CID130072747
Molecular FormulaC8H6ClF2NO3
Molecular Weight237.59 g/mol
Exact Mass237.00
IUPAC Namemethyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C(F)F)c(Cl)c1O
InChIInChI=1S/C8H6ClF2NO3/c1-15-8(14)5-6(13)4(9)3(2-12-5)7(10)11/h2,7,13H,1H3
InChIKeyDHOCDDLTMHHYEL-UHFFFAOYSA-N
XLogP2.16
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.59
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130110498
methyl 4-amino-3-chloro-5-(difluoromethyl)pyridine-2-carboxylate
CID 130102966
methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate
CID 133103469
methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 130104314
methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate
CID 133103370
methyl 4-bromo-5-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 134667411
methyl 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylate
CID 130102191
methyl 5-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carboxylate
CID 130083999
methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate
CID 124706094
methyl 4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134674291
4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol
CID 118839459
methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 130096508

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate?
The IUPAC name of methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate (CID 130072747) is methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate?
The canonical SMILES for methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate is COC(=O)c1ncc(C(F)F)c(Cl)c1O.
What is the InChIKey of methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate?
The InChIKey is DHOCDDLTMHHYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO3/c1-15-8(14)5-6(13)4(9)3(2-12-5)7(10)11/h2,7,13H,1H3.
What are the key properties of methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate?
methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate has a molecular weight of 237.59 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate is sourced from PubChem (CID 130072747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).