4-chloro-5,7-difluoroquinoline-2-carboxylic acid

C10H4ClF2NO2 — CID 63375740

IUPAC4-chloro-5,7-difluoroquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2c(F)cc(F)cc2n1
InChIInChI=1S/C10H4ClF2NO2/c11-5-3-8(10(15)16)14-7-2-4(12)1-6(13)9(5)7/h1-3H,(H,15,16)
InChIKeyGMZBYAKUAYCTDP-UHFFFAOYSA-N
MW243.60 g/mol
LogP2.86
Rot. Bonds1

About 4-chloro-5,7-difluoroquinoline-2-carboxylic acid

4-chloro-5,7-difluoroquinoline-2-carboxylic acid (PubChem CID 63375740) has the molecular formula C10H4ClF2NO2 and a molecular weight of 243.60 g/mol. Its IUPAC name is 4-chloro-5,7-difluoroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-5,7-difluoroquinoline-2-carboxylic acid
PubChem CID63375740
Molecular FormulaC10H4ClF2NO2
Molecular Weight243.60 g/mol
Exact Mass242.99
IUPAC Name4-chloro-5,7-difluoroquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2c(F)cc(F)cc2n1
InChIInChI=1S/C10H4ClF2NO2/c11-5-3-8(10(15)16)14-7-2-4(12)1-6(13)9(5)7/h1-3H,(H,15,16)
InChIKeyGMZBYAKUAYCTDP-UHFFFAOYSA-N
XLogP2.86
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.60
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7-difluoroquinoline-2-carboxylic acid?
The IUPAC name of 4-chloro-5,7-difluoroquinoline-2-carboxylic acid (CID 63375740) is 4-chloro-5,7-difluoroquinoline-2-carboxylic acid.
What is the SMILES notation for 4-chloro-5,7-difluoroquinoline-2-carboxylic acid?
The canonical SMILES for 4-chloro-5,7-difluoroquinoline-2-carboxylic acid is O=C(O)c1cc(Cl)c2c(F)cc(F)cc2n1.
What is the InChIKey of 4-chloro-5,7-difluoroquinoline-2-carboxylic acid?
The InChIKey is GMZBYAKUAYCTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF2NO2/c11-5-3-8(10(15)16)14-7-2-4(12)1-6(13)9(5)7/h1-3H,(H,15,16).
What are the key properties of 4-chloro-5,7-difluoroquinoline-2-carboxylic acid?
4-chloro-5,7-difluoroquinoline-2-carboxylic acid has a molecular weight of 243.60 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,7-difluoroquinoline-2-carboxylic acid is sourced from PubChem (CID 63375740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).