2-chloro-4-(difluoromethyl)-6-methoxypyridin-3-amine

C7H7ClF2N2O — CID 130102536

IUPAC2-chloro-4-(difluoromethyl)-6-methoxypyridin-3-amine
SMILESCOc1cc(C(F)F)c(N)c(Cl)n1
InChIInChI=1S/C7H7ClF2N2O/c1-13-4-2-3(7(9)10)5(11)6(8)12-4/h2,7H,11H2,1H3
InChIKeyXJTBVOAEMVYVJW-UHFFFAOYSA-N
MW208.60 g/mol
LogP2.26
Rot. Bonds2

About 2-chloro-4-(difluoromethyl)-6-methoxypyridin-3-amine

2-chloro-4-(difluoromethyl)-6-methoxypyridin-3-amine (PubChem CID 130102536) has the molecular formula C7H7ClF2N2O and a molecular weight of 208.60 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethyl)-6-methoxypyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-(difluoromethyl)-6-methoxypyridin-3-amine
PubChem CID130102536
Molecular FormulaC7H7ClF2N2O
Molecular Weight208.60 g/mol
Exact Mass208.02
IUPAC Name2-chloro-4-(difluoromethyl)-6-methoxypyridin-3-amine
SMILESCOc1cc(C(F)F)c(N)c(Cl)n1
InChIInChI=1S/C7H7ClF2N2O/c1-13-4-2-3(7(9)10)5(11)6(8)12-4/h2,7H,11H2,1H3
InChIKeyXJTBVOAEMVYVJW-UHFFFAOYSA-N
XLogP2.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.60
LogP ≤ 52.26
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

4-(difluoromethyl)-6-methoxy-2-methylpyridin-3-amine
CID 130105832
2-(aminomethyl)-4-(difluoromethyl)-6-methoxypyridin-3-amine
CID 130105886
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methoxypyridine
CID 119017981
[3-chloro-4-(difluoromethyl)-6-methoxy-2-pyridinyl]methanamine
CID 118836942
6-chloro-3-(difluoromethyl)-5-methoxypyridin-2-amine
CID 130102532
2-(bromomethyl)-3-chloro-4-(difluoromethyl)-6-methoxypyridine
CID 130073739
4-(difluoromethyl)-2,6-dimethoxy-3-methylpyridine
CID 118835593
3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine
CID 130100952
2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102982
4-chloro-5-(difluoromethyl)-2-methoxypyridine
CID 118822541
4-(difluoromethyl)-2-iodo-6-methoxypyridin-3-ol
CID 118852158
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde
CID 118812855

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(difluoromethyl)-6-methoxypyridin-3-amine?
The IUPAC name of 2-chloro-4-(difluoromethyl)-6-methoxypyridin-3-amine (CID 130102536) is 2-chloro-4-(difluoromethyl)-6-methoxypyridin-3-amine.
What is the SMILES notation for 2-chloro-4-(difluoromethyl)-6-methoxypyridin-3-amine?
The canonical SMILES for 2-chloro-4-(difluoromethyl)-6-methoxypyridin-3-amine is COc1cc(C(F)F)c(N)c(Cl)n1.
What is the InChIKey of 2-chloro-4-(difluoromethyl)-6-methoxypyridin-3-amine?
The InChIKey is XJTBVOAEMVYVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O/c1-13-4-2-3(7(9)10)5(11)6(8)12-4/h2,7H,11H2,1H3.
What are the key properties of 2-chloro-4-(difluoromethyl)-6-methoxypyridin-3-amine?
2-chloro-4-(difluoromethyl)-6-methoxypyridin-3-amine has a molecular weight of 208.60 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethyl)-6-methoxypyridin-3-amine is sourced from PubChem (CID 130102536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).