2,4-difluoroquinoline-3-carboxylic acid;hydrochloride

C10H6ClF2NO2 — CID 141031168

IUPAC2,4-difluoroquinoline-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1c(F)nc2ccccc2c1F
InChIInChI=1S/C10H5F2NO2.ClH/c11-8-5-3-1-2-4-6(5)13-9(12)7(8)10(14)15;/h1-4H,(H,14,15);1H
InChIKeyYPJVOABMGDWPGG-UHFFFAOYSA-N
MW245.61 g/mol
LogP2.63
Rot. Bonds1

About 2,4-difluoroquinoline-3-carboxylic acid;hydrochloride

2,4-difluoroquinoline-3-carboxylic acid;hydrochloride (PubChem CID 141031168) has the molecular formula C10H6ClF2NO2 and a molecular weight of 245.61 g/mol. Its IUPAC name is 2,4-difluoroquinoline-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2,4-difluoroquinoline-3-carboxylic acid;hydrochloride
PubChem CID141031168
Molecular FormulaC10H6ClF2NO2
Molecular Weight245.61 g/mol
Exact Mass245.01
IUPAC Name2,4-difluoroquinoline-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1c(F)nc2ccccc2c1F
InChIInChI=1S/C10H5F2NO2.ClH/c11-8-5-3-1-2-4-6(5)13-9(12)7(8)10(14)15;/h1-4H,(H,14,15);1H
InChIKeyYPJVOABMGDWPGG-UHFFFAOYSA-N
XLogP2.63
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.61
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoroquinoline
CID 70448794
3-fluoroisoquinoline-4-carboxylic acid
CID 178201715
benzo[b]phenazine-6,11-dicarboxylic acid
CID 154692279
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
6-oxobenzo[c][1]benzazepine-11-carboxylic acid
CID 154239718
4-phenylquinoline-2,3-dicarboxylic acid
CID 23469806
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
3-(difluoromethoxy)-2-(trifluoromethyl)quinoline-4-carboxylic acid
CID 18002686
3-bromo-2-chloroquinoline-4-carboxylic acid
CID 97180491
benzo[a]acridine-12-carboxylic acid
CID 54569893
(3,4-difluoroquinolin-2-yl)methanol
CID 123381808
1-(4-fluorophenyl)acridine-9-carboxylic acid
CID 90871706

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoroquinoline-3-carboxylic acid;hydrochloride?
The IUPAC name of 2,4-difluoroquinoline-3-carboxylic acid;hydrochloride (CID 141031168) is 2,4-difluoroquinoline-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2,4-difluoroquinoline-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2,4-difluoroquinoline-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1c(F)nc2ccccc2c1F.
What is the InChIKey of 2,4-difluoroquinoline-3-carboxylic acid;hydrochloride?
The InChIKey is YPJVOABMGDWPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2NO2.ClH/c11-8-5-3-1-2-4-6(5)13-9(12)7(8)10(14)15;/h1-4H,(H,14,15);1H.
What are the key properties of 2,4-difluoroquinoline-3-carboxylic acid;hydrochloride?
2,4-difluoroquinoline-3-carboxylic acid;hydrochloride has a molecular weight of 245.61 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoroquinoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 141031168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).