[5,6-dichloro-4-(2,6-difluorobenzoyl)-3-pyridinyl]carbamic acid

C13H6Cl2F2N2O3 — CID 175875300

IUPAC[5,6-dichloro-4-(2,6-difluorobenzoyl)-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cnc(Cl)c(Cl)c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C13H6Cl2F2N2O3/c14-10-9(7(19-13(21)22)4-18-12(10)15)11(20)8-5(16)2-1-3-6(8)17/h1-4,19H,(H,21,22)
InChIKeyRYDDATCBHXUTIP-UHFFFAOYSA-N
MW347.10 g/mol
LogP3.99
Rot. Bonds3

About [5,6-dichloro-4-(2,6-difluorobenzoyl)-3-pyridinyl]carbamic acid

[5,6-dichloro-4-(2,6-difluorobenzoyl)-3-pyridinyl]carbamic acid (PubChem CID 175875300) has the molecular formula C13H6Cl2F2N2O3 and a molecular weight of 347.10 g/mol. Its IUPAC name is [5,6-dichloro-4-(2,6-difluorobenzoyl)-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[5,6-dichloro-4-(2,6-difluorobenzoyl)-3-pyridinyl]carbamic acid
PubChem CID175875300
Molecular FormulaC13H6Cl2F2N2O3
Molecular Weight347.10 g/mol
Exact Mass345.97
IUPAC Name[5,6-dichloro-4-(2,6-difluorobenzoyl)-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cnc(Cl)c(Cl)c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C13H6Cl2F2N2O3/c14-10-9(7(19-13(21)22)4-18-12(10)15)11(20)8-5(16)2-1-3-6(8)17/h1-4,19H,(H,21,22)
InChIKeyRYDDATCBHXUTIP-UHFFFAOYSA-N
XLogP3.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.10
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[6-chloro-5-fluoro-4-(methylcarbamoyl)-3-pyridinyl]carbamic acid
CID 174162579
2-amino-N-[5-chloro-4-(2-chloro-6-fluorobenzoyl)-6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 175554236
(2S)-2-amino-N-[4-(2,6-difluorobenzoyl)-5,6-difluoro-3-pyridinyl]propanamide
CID 171486470
(6-chloro-4-cyano-5-fluoro-3-pyridinyl)carbamic acid
CID 170358649
(2,4-dichloropyrimidin-5-yl)carbamic acid
CID 118393438
2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638146
(3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone
CID 43167216
(2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338532
(6-amino-3-bromo-2-chlorophenyl)-(2,6-difluorophenyl)methanone
CID 162346297
tert-butyl N-[(2S)-1-[3-chloro-2-(2,6-difluorobenzoyl)-4-iodoanilino]-1-oxopropan-2-yl]carbamate
CID 162469182
N-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide
CID 113265347
(2,6-difluorobenzoyl)carbamic acid;hydrochloride
CID 70544596

Frequently Asked Questions

What is the IUPAC name of [5,6-dichloro-4-(2,6-difluorobenzoyl)-3-pyridinyl]carbamic acid?
The IUPAC name of [5,6-dichloro-4-(2,6-difluorobenzoyl)-3-pyridinyl]carbamic acid (CID 175875300) is [5,6-dichloro-4-(2,6-difluorobenzoyl)-3-pyridinyl]carbamic acid.
What is the SMILES notation for [5,6-dichloro-4-(2,6-difluorobenzoyl)-3-pyridinyl]carbamic acid?
The canonical SMILES for [5,6-dichloro-4-(2,6-difluorobenzoyl)-3-pyridinyl]carbamic acid is O=C(O)Nc1cnc(Cl)c(Cl)c1C(=O)c1c(F)cccc1F.
What is the InChIKey of [5,6-dichloro-4-(2,6-difluorobenzoyl)-3-pyridinyl]carbamic acid?
The InChIKey is RYDDATCBHXUTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F2N2O3/c14-10-9(7(19-13(21)22)4-18-12(10)15)11(20)8-5(16)2-1-3-6(8)17/h1-4,19H,(H,21,22).
What are the key properties of [5,6-dichloro-4-(2,6-difluorobenzoyl)-3-pyridinyl]carbamic acid?
[5,6-dichloro-4-(2,6-difluorobenzoyl)-3-pyridinyl]carbamic acid has a molecular weight of 347.10 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dichloro-4-(2,6-difluorobenzoyl)-3-pyridinyl]carbamic acid is sourced from PubChem (CID 175875300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).