(6-chloro-3-pyridinyl) N-methylmethanimidate

C7H7ClN2O — CID 58840784

IUPAC(6-chloro-3-pyridinyl) N-methylmethanimidate
SMILESC/N=C/Oc1ccc(Cl)nc1
InChIInChI=1S/C7H7ClN2O/c1-9-5-11-6-2-3-7(8)10-4-6/h2-5H,1H3/b9-5+
InChIKeyQFYYXIIARAEDRU-WEVVVXLNSA-N
MW170.60 g/mol
LogP1.77
Rot. Bonds2

About (6-chloro-3-pyridinyl) N-methylmethanimidate

(6-chloro-3-pyridinyl) N-methylmethanimidate (PubChem CID 58840784) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl) N-methylmethanimidate.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl) N-methylmethanimidate
PubChem CID58840784
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name(6-chloro-3-pyridinyl) N-methylmethanimidate
SMILESC/N=C/Oc1ccc(Cl)nc1
InChIInChI=1S/C7H7ClN2O/c1-9-5-11-6-2-3-7(8)10-4-6/h2-5H,1H3/b9-5+
InChIKeyQFYYXIIARAEDRU-WEVVVXLNSA-N
XLogP1.77
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(6-chloro-3-pyridinyl)oxymethyl-trimethylsilane
CID 130680161
N-[(6-chloro-3-pyridinyl)oxy]-3-methylbutan-1-imine
CID 174538747
4-[(6-chloro-3-pyridinyl)oxy]benzaldehyde
CID 118176488
2-chloro-5-(3,4-dimethylphenoxy)pyridine
CID 82225184
2-[(6-chloro-3-pyridinyl)oxy]ethanol
CID 22036297
N-[1-(6-chloro-3-pyridinyl)ethoxy]ethanimine
CID 172749140
methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate
CID 86099194
2-[(6-chloro-3-pyridinyl)oxy]-2-methylpropanoic acid
CID 71739073
2-chloro-5-(4-ethoxyphenyl)pyridine
CID 19765548
6-[(6-chloro-3-pyridinyl)oxy]hexan-1-ol
CID 103867951
2-chloro-5-(4-methoxybutan-2-yloxy)pyridine
CID 116500414
(6-chloro-3-pyridinyl)-trimethylstannane
CID 86593850

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl) N-methylmethanimidate?
The IUPAC name of (6-chloro-3-pyridinyl) N-methylmethanimidate (CID 58840784) is (6-chloro-3-pyridinyl) N-methylmethanimidate.
What is the SMILES notation for (6-chloro-3-pyridinyl) N-methylmethanimidate?
The canonical SMILES for (6-chloro-3-pyridinyl) N-methylmethanimidate is C/N=C/Oc1ccc(Cl)nc1.
What is the InChIKey of (6-chloro-3-pyridinyl) N-methylmethanimidate?
The InChIKey is QFYYXIIARAEDRU-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H7ClN2O/c1-9-5-11-6-2-3-7(8)10-4-6/h2-5H,1H3/b9-5+.
What are the key properties of (6-chloro-3-pyridinyl) N-methylmethanimidate?
(6-chloro-3-pyridinyl) N-methylmethanimidate has a molecular weight of 170.60 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl) N-methylmethanimidate is sourced from PubChem (CID 58840784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).