1-(2-chlorophenyl)-3-[6-(hydroxymethyl)-2-pyridinyl]urea

C13H12ClN3O2 — CID 100614324

IUPAC1-(2-chlorophenyl)-3-[6-(hydroxymethyl)-2-pyridinyl]urea
SMILESO=C(Nc1cccc(CO)n1)Nc1ccccc1Cl
InChIInChI=1S/C13H12ClN3O2/c14-10-5-1-2-6-11(10)16-13(19)17-12-7-3-4-9(8-18)15-12/h1-7,18H,8H2,(H2,15,16,17,19)
InChIKeyHGEPSRMBESTQHD-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.87
Rot. Bonds3

About 1-(2-chlorophenyl)-3-[6-(hydroxymethyl)-2-pyridinyl]urea

1-(2-chlorophenyl)-3-[6-(hydroxymethyl)-2-pyridinyl]urea (PubChem CID 100614324) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[6-(hydroxymethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[6-(hydroxymethyl)-2-pyridinyl]urea
PubChem CID100614324
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name1-(2-chlorophenyl)-3-[6-(hydroxymethyl)-2-pyridinyl]urea
SMILESO=C(Nc1cccc(CO)n1)Nc1ccccc1Cl
InChIInChI=1S/C13H12ClN3O2/c14-10-5-1-2-6-11(10)16-13(19)17-12-7-3-4-9(8-18)15-12/h1-7,18H,8H2,(H2,15,16,17,19)
InChIKeyHGEPSRMBESTQHD-UHFFFAOYSA-N
XLogP2.87
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(6-Amino-3-chloropyridin-2-yl)methanol
CID 53621256
[6-(2,4-Difluoroanilino)-2-pyridinyl]methanol
CID 70869728
Carboxy-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]carbamic acid
CID 89906093
3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 165401127
3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 175628522
[6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-2-pyridinyl]urea
CID 178652673
[6-(2,2,2-Trifluoro-1-hydroxyethyl)-2-pyridinyl]urea
CID 178652678
[6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2-pyridinyl]urea
CID 178652843
[3-chloro-6-(N-ethyl-3-fluoroanilino)-2-pyridinyl]methanol
CID 61854739
[3-chloro-6-(4-fluoro-N-methylanilino)-2-pyridinyl]methanol
CID 61970129
[3-chloro-6-(2-fluoro-N-methylanilino)-2-pyridinyl]methanol
CID 61984504
[3-chloro-6-(3-fluoro-N-methylanilino)-2-pyridinyl]methanol
CID 61985077

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[6-(hydroxymethyl)-2-pyridinyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[6-(hydroxymethyl)-2-pyridinyl]urea (CID 100614324) is 1-(2-chlorophenyl)-3-[6-(hydroxymethyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[6-(hydroxymethyl)-2-pyridinyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[6-(hydroxymethyl)-2-pyridinyl]urea is O=C(Nc1cccc(CO)n1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[6-(hydroxymethyl)-2-pyridinyl]urea?
The InChIKey is HGEPSRMBESTQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c14-10-5-1-2-6-11(10)16-13(19)17-12-7-3-4-9(8-18)15-12/h1-7,18H,8H2,(H2,15,16,17,19).
What are the key properties of 1-(2-chlorophenyl)-3-[6-(hydroxymethyl)-2-pyridinyl]urea?
1-(2-chlorophenyl)-3-[6-(hydroxymethyl)-2-pyridinyl]urea has a molecular weight of 277.71 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[6-(hydroxymethyl)-2-pyridinyl]urea is sourced from PubChem (CID 100614324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).