carbonochloridic acid;N,N-dimethylpyridin-4-amine

C8H11ClN2O2 — CID 172753454

IUPACcarbonochloridic acid;N,N-dimethylpyridin-4-amine
SMILESCN(C)c1ccncc1.O=C(O)Cl
InChIInChI=1S/C7H10N2.CHClO2/c1-9(2)7-3-5-8-6-4-7;2-1(3)4/h3-6H,1-2H3;(H,3,4)
InChIKeyKRTSAIGZBQJHPY-UHFFFAOYSA-N
MW202.64 g/mol
LogP2.05
Rot. Bonds1

About carbonochloridic acid;N,N-dimethylpyridin-4-amine

carbonochloridic acid;N,N-dimethylpyridin-4-amine (PubChem CID 172753454) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is carbonochloridic acid;N,N-dimethylpyridin-4-amine.

Molecular Properties

Compound Namecarbonochloridic acid;N,N-dimethylpyridin-4-amine
PubChem CID172753454
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Namecarbonochloridic acid;N,N-dimethylpyridin-4-amine
SMILESCN(C)c1ccncc1.O=C(O)Cl
InChIInChI=1S/C7H10N2.CHClO2/c1-9(2)7-3-5-8-6-4-7;2-1(3)4/h3-6H,1-2H3;(H,3,4)
InChIKeyKRTSAIGZBQJHPY-UHFFFAOYSA-N
XLogP2.05
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylpyridin-4-amine
CID 14284
tris(N,N-dimethylpyridin-4-amine);trihydrobromide
CID 68567794
N,N-dimethylpyridin-4-amine;terbium
CID 21052224
zinc;N,N-dimethylpyridin-4-amine;dichloride
CID 175706220
lithium;N,N-dimethylpyridin-4-amine;hydroxide
CID 174914031
methyl(pyridin-4-yl)carbamic acid
CID 54205463
acetonitrile;N,N-dimethylpyridin-4-amine
CID 160806419
tert-butyl carboxy carbonate;N,N-dimethylpyridin-4-amine
CID 159113501
N,N-dimethylpyridin-4-amine;pyrazine;pyridine;pyrimidine
CID 158848169
zinc;N,N-dimethylpyridin-4-amine;bis((Z)-4-oxopent-2-en-2-olate)
CID 139185110
N,N-dimethylpyridin-4-amine;triethylborane
CID 159448886
2-[methyl(pyridin-4-yl)amino]cyclopropane-1-carboxylic acid
CID 117042628

Frequently Asked Questions

What is the IUPAC name of carbonochloridic acid;N,N-dimethylpyridin-4-amine?
The IUPAC name of carbonochloridic acid;N,N-dimethylpyridin-4-amine (CID 172753454) is carbonochloridic acid;N,N-dimethylpyridin-4-amine.
What is the SMILES notation for carbonochloridic acid;N,N-dimethylpyridin-4-amine?
The canonical SMILES for carbonochloridic acid;N,N-dimethylpyridin-4-amine is CN(C)c1ccncc1.O=C(O)Cl.
What is the InChIKey of carbonochloridic acid;N,N-dimethylpyridin-4-amine?
The InChIKey is KRTSAIGZBQJHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.CHClO2/c1-9(2)7-3-5-8-6-4-7;2-1(3)4/h3-6H,1-2H3;(H,3,4).
What are the key properties of carbonochloridic acid;N,N-dimethylpyridin-4-amine?
carbonochloridic acid;N,N-dimethylpyridin-4-amine has a molecular weight of 202.64 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridic acid;N,N-dimethylpyridin-4-amine is sourced from PubChem (CID 172753454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).