[6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine

C8H9ClF2N2O — CID 130073732

IUPAC[6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine
SMILESCOc1c(CN)cnc(Cl)c1C(F)F
InChIInChI=1S/C8H9ClF2N2O/c1-14-6-4(2-12)3-13-7(9)5(6)8(10)11/h3,8H,2,12H2,1H3
InChIKeyZHSHWRAPKADBDF-UHFFFAOYSA-N
MW222.62 g/mol
LogP2.14
Rot. Bonds3

About [6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine

[6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine (PubChem CID 130073732) has the molecular formula C8H9ClF2N2O and a molecular weight of 222.62 g/mol. Its IUPAC name is [6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine
PubChem CID130073732
Molecular FormulaC8H9ClF2N2O
Molecular Weight222.62 g/mol
Exact Mass222.04
IUPAC Name[6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine
SMILESCOc1c(CN)cnc(Cl)c1C(F)F
InChIInChI=1S/C8H9ClF2N2O/c1-14-6-4(2-12)3-13-7(9)5(6)8(10)11/h3,8H,2,12H2,1H3
InChIKeyZHSHWRAPKADBDF-UHFFFAOYSA-N
XLogP2.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.62
LogP ≤ 52.14
H-Bond Donors ≤ 51
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-(difluoromethyl)-4-methoxypyridin-3-ol
CID 119013301
[4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
CID 130073716
2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
CID 133084936
[5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
CID 130068718
2-chloro-3-(difluoromethyl)-4-fluoro-5-methoxypyridine
CID 119010666
5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
CID 130080683
ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134663529
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 133085269
2-chloro-4-(difluoromethyl)-5-methoxypyridin-3-amine
CID 130102535
[4-bromo-5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine
CID 130069153
ethyl 2-[6-chloro-5-(difluoromethyl)-4-methyl-3-pyridinyl]acetate
CID 134672130
2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid
CID 133105323

Frequently Asked Questions

What is the IUPAC name of [6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine?
The IUPAC name of [6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine (CID 130073732) is [6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine.
What is the SMILES notation for [6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine?
The canonical SMILES for [6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine is COc1c(CN)cnc(Cl)c1C(F)F.
What is the InChIKey of [6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine?
The InChIKey is ZHSHWRAPKADBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2O/c1-14-6-4(2-12)3-13-7(9)5(6)8(10)11/h3,8H,2,12H2,1H3.
What are the key properties of [6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine?
[6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine has a molecular weight of 222.62 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine is sourced from PubChem (CID 130073732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).