4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-methylpyridine-2-carboxylic acid

C14H11ClF2N2O3 — CID 90409767

IUPAC4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-methylpyridine-2-carboxylic acid
SMILESCc1c(-c2ccc(OC(F)F)cc2)nc(C(=O)O)c(Cl)c1N
InChIInChI=1S/C14H11ClF2N2O3/c1-6-10(18)9(15)12(13(20)21)19-11(6)7-2-4-8(5-3-7)22-14(16)17/h2-5,14H,1H3,(H2,18,19)(H,20,21)
InChIKeyJGBLWCUULIHXIN-UHFFFAOYSA-N
MW328.70 g/mol
LogP3.59
Rot. Bonds4

About 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-methylpyridine-2-carboxylic acid

4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-methylpyridine-2-carboxylic acid (PubChem CID 90409767) has the molecular formula C14H11ClF2N2O3 and a molecular weight of 328.70 g/mol. Its IUPAC name is 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-methylpyridine-2-carboxylic acid
PubChem CID90409767
Molecular FormulaC14H11ClF2N2O3
Molecular Weight328.70 g/mol
Exact Mass328.04
IUPAC Name4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-methylpyridine-2-carboxylic acid
SMILESCc1c(-c2ccc(OC(F)F)cc2)nc(C(=O)O)c(Cl)c1N
InChIInChI=1S/C14H11ClF2N2O3/c1-6-10(18)9(15)12(13(20)21)19-11(6)7-2-4-8(5-3-7)22-14(16)17/h2-5,14H,1H3,(H2,18,19)(H,20,21)
InChIKeyJGBLWCUULIHXIN-UHFFFAOYSA-N
XLogP3.59
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.70
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-chloro-6-[4-(1-fluoroethoxy)phenyl]-5-methylpyridine-2-carboxylic acid
CID 163642311
4-amino-3,5-dichloro-6-[4-(difluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 90440285
4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
CID 137484739
4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid
CID 78319096
5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid
CID 155286933
methyl 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 90415028
4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid
CID 137484719
4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 90441349
4-amino-3-chloro-5-fluoro-6-[4-(2-oxoethenyl)phenyl]pyridine-2-carboxylic acid
CID 176525919
4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylic acid
CID 90440272
5-[4-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine
CID 62225201
4-[4-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxylic acid
CID 166273929

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-methylpyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-methylpyridine-2-carboxylic acid (CID 90409767) is 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-methylpyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-methylpyridine-2-carboxylic acid is Cc1c(-c2ccc(OC(F)F)cc2)nc(C(=O)O)c(Cl)c1N.
What is the InChIKey of 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-methylpyridine-2-carboxylic acid?
The InChIKey is JGBLWCUULIHXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O3/c1-6-10(18)9(15)12(13(20)21)19-11(6)7-2-4-8(5-3-7)22-14(16)17/h2-5,14H,1H3,(H2,18,19)(H,20,21).
What are the key properties of 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-methylpyridine-2-carboxylic acid?
4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-methylpyridine-2-carboxylic acid has a molecular weight of 328.70 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 90409767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).