N-(5-fluoro-6-methyl-2-pyridinyl)carbamoyl chloride

C7H6ClFN2O — CID 177307014

IUPACN-(5-fluoro-6-methyl-2-pyridinyl)carbamoyl chloride
SMILESCc1nc(NC(=O)Cl)ccc1F
InChIInChI=1S/C7H6ClFN2O/c1-4-5(9)2-3-6(10-4)11-7(8)12/h2-3H,1H3,(H,10,11,12)
InChIKeyQFENUDFMYILDAA-UHFFFAOYSA-N
MW188.59 g/mol
LogP2.30
Rot. Bonds1

About N-(5-fluoro-6-methyl-2-pyridinyl)carbamoyl chloride

N-(5-fluoro-6-methyl-2-pyridinyl)carbamoyl chloride (PubChem CID 177307014) has the molecular formula C7H6ClFN2O and a molecular weight of 188.59 g/mol. Its IUPAC name is N-(5-fluoro-6-methyl-2-pyridinyl)carbamoyl chloride.

Molecular Properties

Compound NameN-(5-fluoro-6-methyl-2-pyridinyl)carbamoyl chloride
PubChem CID177307014
Molecular FormulaC7H6ClFN2O
Molecular Weight188.59 g/mol
Exact Mass188.02
IUPAC NameN-(5-fluoro-6-methyl-2-pyridinyl)carbamoyl chloride
SMILESCc1nc(NC(=O)Cl)ccc1F
InChIInChI=1S/C7H6ClFN2O/c1-4-5(9)2-3-6(10-4)11-7(8)12/h2-3H,1H3,(H,10,11,12)
InChIKeyQFENUDFMYILDAA-UHFFFAOYSA-N
XLogP2.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.59
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

CID 15765
CID 15765
CID 306458
CID 306458
CID 310683
CID 310683
CID 821024
CID 821024
CID 220486
CID 220486
CID 959613
CID 959613
CID 836687
CID 836687
CID 934768
CID 934768
CID 650730
CID 650730
CID 89021
CID 89021
CID 3839092
CID 3839092
CID 6469265
CID 6469265

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-6-methyl-2-pyridinyl)carbamoyl chloride?
The IUPAC name of N-(5-fluoro-6-methyl-2-pyridinyl)carbamoyl chloride (CID 177307014) is N-(5-fluoro-6-methyl-2-pyridinyl)carbamoyl chloride.
What is the SMILES notation for N-(5-fluoro-6-methyl-2-pyridinyl)carbamoyl chloride?
The canonical SMILES for N-(5-fluoro-6-methyl-2-pyridinyl)carbamoyl chloride is Cc1nc(NC(=O)Cl)ccc1F.
What is the InChIKey of N-(5-fluoro-6-methyl-2-pyridinyl)carbamoyl chloride?
The InChIKey is QFENUDFMYILDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN2O/c1-4-5(9)2-3-6(10-4)11-7(8)12/h2-3H,1H3,(H,10,11,12).
What are the key properties of N-(5-fluoro-6-methyl-2-pyridinyl)carbamoyl chloride?
N-(5-fluoro-6-methyl-2-pyridinyl)carbamoyl chloride has a molecular weight of 188.59 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-6-methyl-2-pyridinyl)carbamoyl chloride is sourced from PubChem (CID 177307014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).