(2-amino-4-chloro-3-pyridinyl) formate;(4-chloro-2-methyl-3-pyridinyl) formate;methane

C14H15Cl2N3O4 — CID 167665157

IUPAC(2-amino-4-chloro-3-pyridinyl) formate;(4-chloro-2-methyl-3-pyridinyl) formate;methane
SMILESC.Cc1nccc(Cl)c1OC=O.Nc1nccc(Cl)c1OC=O
InChIInChI=1S/C7H6ClNO2.C6H5ClN2O2.CH4/c1-5-7(11-4-10)6(8)2-3-9-5;7-4-1-2-9-6(8)5(4)11-3-10;/h2-4H,1H3;1-3H,(H2,8,9);1H4
InChIKeySNHFIZJAUHWFEU-UHFFFAOYSA-N
MW360.20 g/mol
LogP3.07
Rot. Bonds4

About (2-amino-4-chloro-3-pyridinyl) formate;(4-chloro-2-methyl-3-pyridinyl) formate;methane

(2-amino-4-chloro-3-pyridinyl) formate;(4-chloro-2-methyl-3-pyridinyl) formate;methane (PubChem CID 167665157) has the molecular formula C14H15Cl2N3O4 and a molecular weight of 360.20 g/mol. Its IUPAC name is (2-amino-4-chloro-3-pyridinyl) formate;(4-chloro-2-methyl-3-pyridinyl) formate;methane.

Molecular Properties

Compound Name(2-amino-4-chloro-3-pyridinyl) formate;(4-chloro-2-methyl-3-pyridinyl) formate;methane
PubChem CID167665157
Molecular FormulaC14H15Cl2N3O4
Molecular Weight360.20 g/mol
Exact Mass359.04
IUPAC Name(2-amino-4-chloro-3-pyridinyl) formate;(4-chloro-2-methyl-3-pyridinyl) formate;methane
SMILESC.Cc1nccc(Cl)c1OC=O.Nc1nccc(Cl)c1OC=O
InChIInChI=1S/C7H6ClNO2.C6H5ClN2O2.CH4/c1-5-7(11-4-10)6(8)2-3-9-5;7-4-1-2-9-6(8)5(4)11-3-10;/h2-4H,1H3;1-3H,(H2,8,9);1H4
InChIKeySNHFIZJAUHWFEU-UHFFFAOYSA-N
XLogP3.07
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4-prop-2-enyl-3-pyridinyl) formate
CID 175459901
4-chloro-3-(difluoromethoxy)-2-methylpyridine
CID 18629352
(3,4-dichloro-2-pyridinyl) formate
CID 164738459
4-chloro-3-(1-methoxyethoxy)-2-methylpyridine
CID 19926460
6-chloro-7-methylisoquinolin-1-amine
CID 21300587
2-methyl-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130093349
4-chloro-3-fluoro-2-methylpyridine
CID 18727750
3-chloro-2-methylpyridin-4-amine
CID 13419573
N,N-dimethylformamide;2,3-dimethylpyridin-4-amine
CID 174894950
4-chloro-2-methylpyridine-3-sulfonyl chloride
CID 151415584
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl] formate
CID 174278900
2-(6-amino-3-chloro-2-methoxyphenyl)pyridine-4-carbaldehyde
CID 134238264

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chloro-3-pyridinyl) formate;(4-chloro-2-methyl-3-pyridinyl) formate;methane?
The IUPAC name of (2-amino-4-chloro-3-pyridinyl) formate;(4-chloro-2-methyl-3-pyridinyl) formate;methane (CID 167665157) is (2-amino-4-chloro-3-pyridinyl) formate;(4-chloro-2-methyl-3-pyridinyl) formate;methane.
What is the SMILES notation for (2-amino-4-chloro-3-pyridinyl) formate;(4-chloro-2-methyl-3-pyridinyl) formate;methane?
The canonical SMILES for (2-amino-4-chloro-3-pyridinyl) formate;(4-chloro-2-methyl-3-pyridinyl) formate;methane is C.Cc1nccc(Cl)c1OC=O.Nc1nccc(Cl)c1OC=O.
What is the InChIKey of (2-amino-4-chloro-3-pyridinyl) formate;(4-chloro-2-methyl-3-pyridinyl) formate;methane?
The InChIKey is SNHFIZJAUHWFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2.C6H5ClN2O2.CH4/c1-5-7(11-4-10)6(8)2-3-9-5;7-4-1-2-9-6(8)5(4)11-3-10;/h2-4H,1H3;1-3H,(H2,8,9);1H4.
What are the key properties of (2-amino-4-chloro-3-pyridinyl) formate;(4-chloro-2-methyl-3-pyridinyl) formate;methane?
(2-amino-4-chloro-3-pyridinyl) formate;(4-chloro-2-methyl-3-pyridinyl) formate;methane has a molecular weight of 360.20 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-chloro-3-pyridinyl) formate;(4-chloro-2-methyl-3-pyridinyl) formate;methane is sourced from PubChem (CID 167665157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).