6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxylic acid

C7H5ClF2N2O2 — CID 130102887

IUPAC6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxylic acid
SMILESNc1cc(C(F)F)c(Cl)c(C(=O)O)n1
InChIInChI=1S/C7H5ClF2N2O2/c8-4-2(6(9)10)1-3(11)12-5(4)7(13)14/h1,6H,(H2,11,12)(H,13,14)
InChIKeyYAZPPDSLMZVHDU-UHFFFAOYSA-N
MW222.58 g/mol
LogP1.95
Rot. Bonds2

About 6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxylic acid

6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxylic acid (PubChem CID 130102887) has the molecular formula C7H5ClF2N2O2 and a molecular weight of 222.58 g/mol. Its IUPAC name is 6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxylic acid
PubChem CID130102887
Molecular FormulaC7H5ClF2N2O2
Molecular Weight222.58 g/mol
Exact Mass222.00
IUPAC Name6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxylic acid
SMILESNc1cc(C(F)F)c(Cl)c(C(=O)O)n1
InChIInChI=1S/C7H5ClF2N2O2/c8-4-2(6(9)10)1-3(11)12-5(4)7(13)14/h1,6H,(H2,11,12)(H,13,14)
InChIKeyYAZPPDSLMZVHDU-UHFFFAOYSA-N
XLogP1.95
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.58
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxamide
CID 130103139
ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134669264
5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 130104260
2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 134661764
6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 119008053
6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 119023037
6-chloro-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 130102435
6-amino-3-chloropyrazine-2-carboxylic acid
CID 91873832
6-amino-2-bromo-4-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130102254
5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130095648
5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134675155
3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098779

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxylic acid (CID 130102887) is 6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxylic acid is Nc1cc(C(F)F)c(Cl)c(C(=O)O)n1.
What is the InChIKey of 6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is YAZPPDSLMZVHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O2/c8-4-2(6(9)10)1-3(11)12-5(4)7(13)14/h1,6H,(H2,11,12)(H,13,14).
What are the key properties of 6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxylic acid?
6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 222.58 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 130102887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).