1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea

C9H12ClN3O — CID 103886204

IUPAC1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ncccc1Cl
InChIInChI=1S/C9H12ClN3O/c1-6(2)12-9(14)13-8-7(10)4-3-5-11-8/h3-6H,1-2H3,(H2,11,12,13,14)
InChIKeyLSCIHNIJOZTFCR-UHFFFAOYSA-N
MW213.67 g/mol
LogP2.26
Rot. Bonds2

About 1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea

1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea (PubChem CID 103886204) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea
PubChem CID103886204
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ncccc1Cl
InChIInChI=1S/C9H12ClN3O/c1-6(2)12-9(14)13-8-7(10)4-3-5-11-8/h3-6H,1-2H3,(H2,11,12,13,14)
InChIKeyLSCIHNIJOZTFCR-UHFFFAOYSA-N
XLogP2.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 103094731
1-(3-chloro-2-pyridinyl)-3-propylurea
CID 103886211
methyl N-(3-chloro-2-pyridinyl)carbamate
CID 103094493
2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid
CID 103094708
N-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide
CID 75498742
3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide
CID 103094172
N-(3-chloro-2-pyridinyl)pyrrolidine-1-carboxamide
CID 103886210
methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate
CID 43515165
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
N-(3-chloro-2-pyridinyl)-2-cyanobutanamide
CID 103094355
N-(3-chloro-2-pyridinyl)-2-phenylacetamide
CID 903998
N-(3-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 103892864

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea (CID 103886204) is 1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea is CC(C)NC(=O)Nc1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea?
The InChIKey is LSCIHNIJOZTFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-6(2)12-9(14)13-8-7(10)4-3-5-11-8/h3-6H,1-2H3,(H2,11,12,13,14).
What are the key properties of 1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea?
1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea has a molecular weight of 213.67 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea is sourced from PubChem (CID 103886204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).