[6-chloro-5-fluoro-4-(methylcarbamoyl)-3-pyridinyl]carbamic acid

C8H7ClFN3O3 — CID 174162579

IUPAC[6-chloro-5-fluoro-4-(methylcarbamoyl)-3-pyridinyl]carbamic acid
SMILESCNC(=O)c1c(NC(=O)O)cnc(Cl)c1F
InChIInChI=1S/C8H7ClFN3O3/c1-11-7(14)4-3(13-8(15)16)2-12-6(9)5(4)10/h2,13H,1H3,(H,11,14)(H,15,16)
InChIKeyOJUPLDHMEQMRSG-UHFFFAOYSA-N
MW247.61 g/mol
LogP1.32
Rot. Bonds2

About [6-chloro-5-fluoro-4-(methylcarbamoyl)-3-pyridinyl]carbamic acid

[6-chloro-5-fluoro-4-(methylcarbamoyl)-3-pyridinyl]carbamic acid (PubChem CID 174162579) has the molecular formula C8H7ClFN3O3 and a molecular weight of 247.61 g/mol. Its IUPAC name is [6-chloro-5-fluoro-4-(methylcarbamoyl)-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-chloro-5-fluoro-4-(methylcarbamoyl)-3-pyridinyl]carbamic acid
PubChem CID174162579
Molecular FormulaC8H7ClFN3O3
Molecular Weight247.61 g/mol
Exact Mass247.02
IUPAC Name[6-chloro-5-fluoro-4-(methylcarbamoyl)-3-pyridinyl]carbamic acid
SMILESCNC(=O)c1c(NC(=O)O)cnc(Cl)c1F
InChIInChI=1S/C8H7ClFN3O3/c1-11-7(14)4-3(13-8(15)16)2-12-6(9)5(4)10/h2,13H,1H3,(H,11,14)(H,15,16)
InChIKeyOJUPLDHMEQMRSG-UHFFFAOYSA-N
XLogP1.32
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.61
LogP ≤ 51.32
H-Bond Donors ≤ 53
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-4-cyano-5-fluoro-3-pyridinyl)carbamic acid
CID 170358649
[5,6-dichloro-4-(2,6-difluorobenzoyl)-3-pyridinyl]carbamic acid
CID 175875300
2,5-dichloro-3-fluoropyridine-4-carboxylic acid
CID 11009178
(2,4-dichloropyrimidin-5-yl)carbamic acid
CID 118393438
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
[3-(methylcarbamoyl)-4-pyridinyl]carbamic acid
CID 151478044
(3-chloro-2-fluoro-4-pyridinyl)carbamic acid
CID 170308277
(6-fluoro-4-iodo-3-pyridinyl)carbamic acid
CID 66674148
2-chloro-N-methyl-5-[(2,2,2-trifluoroacetyl)amino]pyrimidine-4-carboxamide
CID 172612156
(4,6-dichloro-5-fluoropyrimidin-2-yl)carbamic acid
CID 172754486
[6-chloro-4-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]carbamic acid
CID 141326546
N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide
CID 102979790

Frequently Asked Questions

What is the IUPAC name of [6-chloro-5-fluoro-4-(methylcarbamoyl)-3-pyridinyl]carbamic acid?
The IUPAC name of [6-chloro-5-fluoro-4-(methylcarbamoyl)-3-pyridinyl]carbamic acid (CID 174162579) is [6-chloro-5-fluoro-4-(methylcarbamoyl)-3-pyridinyl]carbamic acid.
What is the SMILES notation for [6-chloro-5-fluoro-4-(methylcarbamoyl)-3-pyridinyl]carbamic acid?
The canonical SMILES for [6-chloro-5-fluoro-4-(methylcarbamoyl)-3-pyridinyl]carbamic acid is CNC(=O)c1c(NC(=O)O)cnc(Cl)c1F.
What is the InChIKey of [6-chloro-5-fluoro-4-(methylcarbamoyl)-3-pyridinyl]carbamic acid?
The InChIKey is OJUPLDHMEQMRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN3O3/c1-11-7(14)4-3(13-8(15)16)2-12-6(9)5(4)10/h2,13H,1H3,(H,11,14)(H,15,16).
What are the key properties of [6-chloro-5-fluoro-4-(methylcarbamoyl)-3-pyridinyl]carbamic acid?
[6-chloro-5-fluoro-4-(methylcarbamoyl)-3-pyridinyl]carbamic acid has a molecular weight of 247.61 g/mol, XLogP of 1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-5-fluoro-4-(methylcarbamoyl)-3-pyridinyl]carbamic acid is sourced from PubChem (CID 174162579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).