(4-pyridin-2-yl-3-pyridinyl)carbamic acid

C11H9N3O2 — CID 118063943

IUPAC(4-pyridin-2-yl-3-pyridinyl)carbamic acid
SMILESO=C(O)Nc1cnccc1-c1ccccn1
InChIInChI=1S/C11H9N3O2/c15-11(16)14-10-7-12-6-4-8(10)9-3-1-2-5-13-9/h1-7,14H,(H,15,16)
InChIKeyUPPCPOMBHZXAHM-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.23
Rot. Bonds2

About (4-pyridin-2-yl-3-pyridinyl)carbamic acid

(4-pyridin-2-yl-3-pyridinyl)carbamic acid (PubChem CID 118063943) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is (4-pyridin-2-yl-3-pyridinyl)carbamic acid.

Molecular Properties

Compound Name(4-pyridin-2-yl-3-pyridinyl)carbamic acid
PubChem CID118063943
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name(4-pyridin-2-yl-3-pyridinyl)carbamic acid
SMILESO=C(O)Nc1cnccc1-c1ccccn1
InChIInChI=1S/C11H9N3O2/c15-11(16)14-10-7-12-6-4-8(10)9-3-1-2-5-13-9/h1-7,14H,(H,15,16)
InChIKeyUPPCPOMBHZXAHM-UHFFFAOYSA-N
XLogP2.23
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-pyridinyl)carbamic acid
CID 54010428
N-(4-pyridin-2-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118072352
ethane;4-methyl-3-pyridin-2-ylpyridine
CID 143216291
(2-pyridin-3-ylphenyl)carbamic acid
CID 174385651
4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 166192549
4-bromo-3-pyridin-2-ylpyridine
CID 118988962
2-(2-pyridin-2-ylphenyl)pyrazine
CID 91494990
4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 82376068
N-(5-methylsulfinyl-2-pyridin-2-ylphenyl)acetamide
CID 57114620
3-hydroxy-2-methyl-5-pyridin-2-ylpyridine-4-carboxylic acid
CID 96600804
N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 63319086
(3,4-dihydroxy-5-pyridin-2-ylfuran-2-yl)carbamic acid
CID 151685872

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-yl-3-pyridinyl)carbamic acid?
The IUPAC name of (4-pyridin-2-yl-3-pyridinyl)carbamic acid (CID 118063943) is (4-pyridin-2-yl-3-pyridinyl)carbamic acid.
What is the SMILES notation for (4-pyridin-2-yl-3-pyridinyl)carbamic acid?
The canonical SMILES for (4-pyridin-2-yl-3-pyridinyl)carbamic acid is O=C(O)Nc1cnccc1-c1ccccn1.
What is the InChIKey of (4-pyridin-2-yl-3-pyridinyl)carbamic acid?
The InChIKey is UPPCPOMBHZXAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-11(16)14-10-7-12-6-4-8(10)9-3-1-2-5-13-9/h1-7,14H,(H,15,16).
What are the key properties of (4-pyridin-2-yl-3-pyridinyl)carbamic acid?
(4-pyridin-2-yl-3-pyridinyl)carbamic acid has a molecular weight of 215.21 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-yl-3-pyridinyl)carbamic acid is sourced from PubChem (CID 118063943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).