(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)methylcarbamic acid

C8H8ClFN2O3 — CID 126721663

IUPAC(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)methylcarbamic acid
SMILESCOc1nc(Cl)c(F)cc1CNC(=O)O
InChIInChI=1S/C8H8ClFN2O3/c1-15-7-4(3-11-8(13)14)2-5(10)6(9)12-7/h2,11H,3H2,1H3,(H,13,14)
InChIKeyRSDBWUOOWBLNRA-UHFFFAOYSA-N
MW234.61 g/mol
LogP1.65
Rot. Bonds3

About (6-chloro-5-fluoro-2-methoxy-3-pyridinyl)methylcarbamic acid

(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)methylcarbamic acid (PubChem CID 126721663) has the molecular formula C8H8ClFN2O3 and a molecular weight of 234.61 g/mol. Its IUPAC name is (6-chloro-5-fluoro-2-methoxy-3-pyridinyl)methylcarbamic acid.

Molecular Properties

Compound Name(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)methylcarbamic acid
PubChem CID126721663
Molecular FormulaC8H8ClFN2O3
Molecular Weight234.61 g/mol
Exact Mass234.02
IUPAC Name(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)methylcarbamic acid
SMILESCOc1nc(Cl)c(F)cc1CNC(=O)O
InChIInChI=1S/C8H8ClFN2O3/c1-15-7-4(3-11-8(13)14)2-5(10)6(9)12-7/h2,11H,3H2,1H3,(H,13,14)
InChIKeyRSDBWUOOWBLNRA-UHFFFAOYSA-N
XLogP1.65
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.61
LogP ≤ 51.65
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

1-(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 126721634
N-[[6-(cyclohexylamino)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721524
2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid
CID 115171185
N-[[6-(cyclobutylamino)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 126721520
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
(2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 126721985
3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-3-oxopropanoic acid
CID 115163429
6-chloro-5-ethyl-2-methoxypyridine-3-carboxylic acid
CID 89421780
(2,3-dichloro-4-methoxyphenyl)methylcarbamic acid
CID 115170906
N-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721471
2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 119004828
(2S)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]azetidine-2-carboxamide
CID 126721536

Frequently Asked Questions

What is the IUPAC name of (6-chloro-5-fluoro-2-methoxy-3-pyridinyl)methylcarbamic acid?
The IUPAC name of (6-chloro-5-fluoro-2-methoxy-3-pyridinyl)methylcarbamic acid (CID 126721663) is (6-chloro-5-fluoro-2-methoxy-3-pyridinyl)methylcarbamic acid.
What is the SMILES notation for (6-chloro-5-fluoro-2-methoxy-3-pyridinyl)methylcarbamic acid?
The canonical SMILES for (6-chloro-5-fluoro-2-methoxy-3-pyridinyl)methylcarbamic acid is COc1nc(Cl)c(F)cc1CNC(=O)O.
What is the InChIKey of (6-chloro-5-fluoro-2-methoxy-3-pyridinyl)methylcarbamic acid?
The InChIKey is RSDBWUOOWBLNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O3/c1-15-7-4(3-11-8(13)14)2-5(10)6(9)12-7/h2,11H,3H2,1H3,(H,13,14).
What are the key properties of (6-chloro-5-fluoro-2-methoxy-3-pyridinyl)methylcarbamic acid?
(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)methylcarbamic acid has a molecular weight of 234.61 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-5-fluoro-2-methoxy-3-pyridinyl)methylcarbamic acid is sourced from PubChem (CID 126721663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).